3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide

C188H311N21O19 — CID 158518857

IUPAC3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide
SMILESCC(=O)NC(C)C.CC(C)CC(=O)NC(C)C.CC(C)CCC(=O)NC(C)C.CC(C)NC(=O)C(C)(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1cccc(C#N)c1.CC(C)NC(=O)c1ccccc1.CCC(=O)NC(C)C.CCCC(=O)NC(C)C.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C.[C-]#[N+]c1ccccc1C(=O)NC(C)C
InChIInChI=1S/3C13H19NO.C12H23NO.C12H17NO.2C11H12N2O.C11H15NO.C11H21NO.C11H15NO.C10H19NO.C10H13NO.C9H19NO.2C8H17NO.2C7H15NO.C6H13NO.C5H11NO/c1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-8(2)13-11(14)9-6-4-5-7-10(9)12-3;1-8(2)13-11(14)10-5-3-4-9(6-10)7-12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;2*1-8(2)11-10(12)9-6-4-3-5-7-9;1-7(2)5-6-9(11)10-8(3)4;1-6(2)9-7(10)8(3,4)5;1-6(2)5-8(10)9-7(3)4;1-5(2)7(9)8-6(3)4;1-4-5-7(9)8-6(2)3;1-4-6(8)7-5(2)3;1-4(2)6-5(3)7/h4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);4-8H,1-2H3,(H,13,14);3-6,8H,1-2H3,(H,13,14);4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3,(H,10,11);6H,1-5H3,(H,9,10);6-7H,5H2,1-4H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyHLYWNLMXXKLVNA-UHFFFAOYSA-N
MW3169.68 g/mol
LogP35.72
Rot. Bonds52

About 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide

3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide (PubChem CID 158518857) has the molecular formula C188H311N21O19 and a molecular weight of 3169.68 g/mol. Its IUPAC name is 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide
PubChem CID158518857
Molecular FormulaC188H311N21O19
Molecular Weight3169.68 g/mol
Exact Mass3167.40
IUPAC Name3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide
SMILESCC(=O)NC(C)C.CC(C)CC(=O)NC(C)C.CC(C)CCC(=O)NC(C)C.CC(C)NC(=O)C(C)(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1cccc(C#N)c1.CC(C)NC(=O)c1ccccc1.CCC(=O)NC(C)C.CCCC(=O)NC(C)C.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C.[C-]#[N+]c1ccccc1C(=O)NC(C)C
InChIInChI=1S/3C13H19NO.C12H23NO.C12H17NO.2C11H12N2O.C11H15NO.C11H21NO.C11H15NO.C10H19NO.C10H13NO.C9H19NO.2C8H17NO.2C7H15NO.C6H13NO.C5H11NO/c1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-8(2)13-11(14)9-6-4-5-7-10(9)12-3;1-8(2)13-11(14)10-5-3-4-9(6-10)7-12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;2*1-8(2)11-10(12)9-6-4-3-5-7-9;1-7(2)5-6-9(11)10-8(3)4;1-6(2)9-7(10)8(3,4)5;1-6(2)5-8(10)9-7(3)4;1-5(2)7(9)8-6(3)4;1-4-5-7(9)8-6(2)3;1-4-6(8)7-5(2)3;1-4(2)6-5(3)7/h4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);4-8H,1-2H3,(H,13,14);3-6,8H,1-2H3,(H,13,14);4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3,(H,10,11);6H,1-5H3,(H,9,10);6-7H,5H2,1-4H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyHLYWNLMXXKLVNA-UHFFFAOYSA-N
XLogP35.72
TPSA581.05 Ų
H-Bond Donors19
H-Bond Acceptors20
Rotatable Bonds52
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003169.68
LogP ≤ 535.72
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethenyl]propan-2-amine;methane;4-methyl-N-propan-2-ylcyclohexane-1-carboxamide;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;N-propan-2-ylbenzamide;bis(N-propan-2-ylcyclohexanecarboxamide);N-propan-2-ylcyclopentanecarboxamide
CID 159834640
2-butyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2-but-1-ynyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 167628030
1-O-[(2R)-2-benzamido-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-(cyclohexanecarbonylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-(2,2-dimethylpropanoylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-(2-methylpropanoylamino)-2-phenylethyl] 4-O-propan-2-yl (E)-but-2-enedioate;1-O-[(2R)-2-phenyl-2-(propanoylamino)ethyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 161113564
N-[(6S)-1-cyclohexyl-6-hydroxy-7-[3-(4-methylphenoxy)propanoylamino]-8-phenyloctan-4-yl]-3-phenoxybenzamide
CID 70316954
N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
CID 146332068
ethyl 2-amino-2-[(2-cyclohexylacetyl)hydrazinylidene]acetate;ethyl 2-amino-2-[(2-cyclopentylacetyl)hydrazinylidene]acetate;ethyl 2-amino-2-(3-cyclopentylpropanoylhydrazinylidene)acetate;ethyl 2-amino-2-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]acetate;ethyl 2-amino-2-(4-methylpentanoylhydrazinylidene)acetate;ethyl 2-amino-2-[[2-(4-methylphenyl)acetyl]hydrazinylidene]acetate;ethyl 2-amino-2-[(2-phenylacetyl)hydrazinylidene]acetate;ethyl 2-amino-2-(2-phenylpropanoylhydrazinylidene)acetate;ethyl 2-amino-2-(3-phenylpropanoylhydrazinylidene)acetate;ethyl 2-amino-2-[(2-thiophen-2-ylacetyl)hydrazinylidene]acetate
CID 159138853
2-acetamido-4-[[(2S,3S,5R)-3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-4-oxobutanoic acid;(2S)-2-(cyclobutanecarbonylamino)-4-[[(2S,3S,5R)-3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-4-oxobutanoic acid;(2S)-2-(2,2-dimethylpropanoylamino)-4-[[(2S,3S,5R)-3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-4-oxobutanoic acid;(2S)-4-[[(2S,3S,5R)-3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-2-(2-methylpropanoylamino)-4-oxobutanoic acid;(2S)-4-[[(2S,3S,5R)-3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-4-oxo-2-(propanoylamino)butanoic acid
CID 159051237
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-[3-(2-methylphenyl)propanoyl]benzonitrile
CID 24725616
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
3-[3-[(3-cyanobenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 23396415
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046019

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide?
The IUPAC name of 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide (CID 158518857) is 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide.
What is the SMILES notation for 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide?
The canonical SMILES for 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide is CC(=O)NC(C)C.CC(C)CC(=O)NC(C)C.CC(C)CCC(=O)NC(C)C.CC(C)NC(=O)C(C)(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)CC1CCCCC1.CC(C)NC(=O)CCC1CCCCC1.CC(C)NC(=O)CCc1ccccc1.CC(C)NC(=O)Cc1ccccc1.CC(C)NC(=O)c1cccc(C#N)c1.CC(C)NC(=O)c1ccccc1.CCC(=O)NC(C)C.CCCC(=O)NC(C)C.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(CCC(=O)NC(C)C)cc1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C.[C-]#[N+]c1ccccc1C(=O)NC(C)C.
What is the InChIKey of 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide?
The InChIKey is HLYWNLMXXKLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H19NO.C12H23NO.C12H17NO.2C11H12N2O.C11H15NO.C11H21NO.C11H15NO.C10H19NO.C10H13NO.C9H19NO.2C8H17NO.2C7H15NO.C6H13NO.C5H11NO/c1-10(2)14-13(15)9-8-12-6-4-11(3)5-7-12;1-10(2)14-13(15)8-7-12-6-4-5-11(3)9-12;1-10(2)14-13(15)9-8-12-7-5-4-6-11(12)3;2*1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-8(2)13-11(14)9-6-4-5-7-10(9)12-3;1-8(2)13-11(14)10-5-3-4-9(6-10)7-12;1-8(2)12-11(13)10-6-4-9(3)5-7-10;2*1-9(2)12-11(13)8-10-6-4-3-5-7-10;2*1-8(2)11-10(12)9-6-4-3-5-7-9;1-7(2)5-6-9(11)10-8(3)4;1-6(2)9-7(10)8(3,4)5;1-6(2)5-8(10)9-7(3)4;1-5(2)7(9)8-6(3)4;1-4-5-7(9)8-6(2)3;1-4-6(8)7-5(2)3;1-4(2)6-5(3)7/h4-7,10H,8-9H2,1-3H3,(H,14,15);4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);10-11H,3-9H2,1-2H3,(H,13,14);3-7,10H,8-9H2,1-2H3,(H,13,14);4-8H,1-2H3,(H,13,14);3-6,8H,1-2H3,(H,13,14);4-8H,1-3H3,(H,12,13);9-10H,3-8H2,1-2H3,(H,12,13);3-7,9H,8H2,1-2H3,(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3,(H,10,11);6H,1-5H3,(H,9,10);6-7H,5H2,1-4H3,(H,9,10);5-6H,1-4H3,(H,8,9);6H,4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);4H,1-3H3,(H,6,7).
What are the key properties of 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide?
3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide has a molecular weight of 3169.68 g/mol, XLogP of 35.72, 52 rotatable bonds, 19 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-propan-2-ylbenzamide;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;2,2-dimethyl-N-propan-2-ylpropanamide;2-isocyano-N-propan-2-ylbenzamide;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;3-(4-methylphenyl)-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;4-methyl-N-propan-2-ylpentanamide;2-methyl-N-propan-2-ylpropanamide;2-phenyl-N-propan-2-ylacetamide;3-phenyl-N-propan-2-ylpropanamide;N-propan-2-ylacetamide;N-propan-2-ylbenzamide;N-propan-2-ylbutanamide;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide is sourced from PubChem (CID 158518857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).