N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide

C150H272N20O16 — CID 158440718

IUPACN-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide
SMILESC.C.C.C.C.C.C.CC(=O)N(C)C(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C
InChIInChI=1S/2C13H19NO.C11H22N2O3.2C11H17N.C10H20N2O3.C10H20N2O.C10H19NO.C10H15N.2C9H12N2O.C7H11NO.C7H15NO.2C6H13NO.7CH4/c1-10(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;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-5(2)7(4)6(3)8;1-4-6(8)7-5(2)3;;;;;;;/h4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);7-8H,1-6H3,(H,12,14)(H,13,15);4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,1-4H3;5H,4H2,1-3H3,(H,7,8);7*1H4
InChIKeyHCTXWYZWBQTXIG-UHFFFAOYSA-N
MW2611.95 g/mol
LogP29.43
Rot. Bonds38

About N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide

N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide (PubChem CID 158440718) has the molecular formula C150H272N20O16 and a molecular weight of 2611.95 g/mol. Its IUPAC name is N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide
PubChem CID158440718
Molecular FormulaC150H272N20O16
Molecular Weight2611.95 g/mol
Exact Mass2610.11
IUPAC NameN-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide
SMILESC.C.C.C.C.C.C.CC(=O)N(C)C(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C
InChIInChI=1S/2C13H19NO.C11H22N2O3.2C11H17N.C10H20N2O3.C10H20N2O.C10H19NO.C10H15N.2C9H12N2O.C7H11NO.C7H15NO.2C6H13NO.7CH4/c1-10(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;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-5(2)7(4)6(3)8;1-4-6(8)7-5(2)3;;;;;;;/h4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);7-8H,1-6H3,(H,12,14)(H,13,15);4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,1-4H3;5H,4H2,1-3H3,(H,7,8);7*1H4
InChIKeyHCTXWYZWBQTXIG-UHFFFAOYSA-N
XLogP29.43
TPSA479.11 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.95
LogP ≤ 529.43
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Analyze N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide (CID 158440718) is N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide is C.C.C.C.C.C.C.CC(=O)N(C)C(C)C.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)C1CCCCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1cccc(CCC(=O)NC(C)C)c1.Cc1ccccc1CCC(=O)NC(C)C.
What is the InChIKey of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is HCTXWYZWBQTXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19NO.C11H22N2O3.2C11H17N.C10H20N2O3.C10H20N2O.C10H19NO.C10H15N.2C9H12N2O.C7H11NO.C7H15NO.2C6H13NO.7CH4/c1-10(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;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-5(2)7(4)6(3)8;1-4-6(8)7-5(2)3;;;;;;;/h4-6,9-10H,7-8H2,1-3H3,(H,14,15);4-7,10H,8-9H2,1-3H3,(H,14,15);7-8H,1-6H3,(H,12,14)(H,13,15);4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9,11H,8H2,1-2H3;2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,1-4H3;5H,4H2,1-3H3,(H,7,8);7*1H4.
What are the key properties of N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide?
N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 2611.95 g/mol, XLogP of 29.43, 38 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;methane;3-(2-methylphenyl)-N-propan-2-ylpropanamide;3-(3-methylphenyl)-N-propan-2-ylpropanamide;N-methyl-N-propan-2-ylacetamide;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-propan-2-ylpropanamide;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylcyclohexanecarboxamide;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 158440718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).