2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide

C212H292Br2F3N29O22 — CID 159601248

IUPAC2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide
SMILESCC(=O)N(C)C(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(C#N)ccc2C1=O.CC(C)N1Cc2ccc(Br)cc2C1=O.CC(C)N1Cc2ccc(C#N)cc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)N.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CN.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/3C12H12N2O.2C12H15NO.2C11H12BrNO.3C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H15N.C9H12N2O.C7H11NO.C6H14N2O.C6H13NO.C5H12N2O/c1-8(2)14-7-10-5-9(6-13)3-4-11(10)12(14)15;1-8(2)14-7-10-4-3-9(6-13)5-11(10)12(14)15;1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;2*1-8(2)13-7-10-6-9(3)4-5-11(10)12(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;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;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-5(2)7-4-6(3)8-9-7;1-4(2)8-6(9)5(3)7;1-5(2)7(4)6(3)8;1-4(2)7-5(8)3-6/h3*3-5,8H,7H2,1-2H3;2*4-6,8H,7H2,1-3H3;5*3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);3-7,9,11H,8H2,1-2H3;3-7H,1-2H3,(H,11,12);4-5H,1-3H3;4-5H,7H2,1-3H3,(H,8,9);5H,1-4H3;4H,3,6H2,1-2H3,(H,7,8)
InChIKeyMLMYXHBBEAPCFW-UHFFFAOYSA-N
MW3815.65 g/mol
LogP37.88
Rot. Bonds35

About 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide

2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide (PubChem CID 159601248) has the molecular formula C212H292Br2F3N29O22 and a molecular weight of 3815.65 g/mol. Its IUPAC name is 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide
PubChem CID159601248
Molecular FormulaC212H292Br2F3N29O22
Molecular Weight3815.65 g/mol
Exact Mass3811.09
IUPAC Name2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide
SMILESCC(=O)N(C)C(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(C#N)ccc2C1=O.CC(C)N1Cc2ccc(Br)cc2C1=O.CC(C)N1Cc2ccc(C#N)cc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)N.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CN.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/3C12H12N2O.2C12H15NO.2C11H12BrNO.3C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H15N.C9H12N2O.C7H11NO.C6H14N2O.C6H13NO.C5H12N2O/c1-8(2)14-7-10-5-9(6-13)3-4-11(10)12(14)15;1-8(2)14-7-10-4-3-9(6-13)5-11(10)12(14)15;1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;2*1-8(2)13-7-10-6-9(3)4-5-11(10)12(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;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;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-5(2)7-4-6(3)8-9-7;1-4(2)8-6(9)5(3)7;1-5(2)7(4)6(3)8;1-4(2)7-5(8)3-6/h3*3-5,8H,7H2,1-2H3;2*4-6,8H,7H2,1-3H3;5*3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);3-7,9,11H,8H2,1-2H3;3-7H,1-2H3,(H,11,12);4-5H,1-3H3;4-5H,7H2,1-3H3,(H,8,9);5H,1-4H3;4H,3,6H2,1-2H3,(H,7,8)
InChIKeyMLMYXHBBEAPCFW-UHFFFAOYSA-N
XLogP37.88
TPSA664.30 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003815.65
LogP ≤ 537.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide (CID 159601248) is 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide is CC(=O)N(C)C(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(C#N)ccc2C1=O.CC(C)N1Cc2ccc(Br)cc2C1=O.CC(C)N1Cc2ccc(C#N)cc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)N.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CN.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)CN(C(C)C)C2=O.Cc1ccc2c(c1)CN(C(C)C)C2=O.
What is the InChIKey of 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MLMYXHBBEAPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O.2C12H15NO.2C11H12BrNO.3C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H15N.C9H12N2O.C7H11NO.C6H14N2O.C6H13NO.C5H12N2O/c1-8(2)14-7-10-5-9(6-13)3-4-11(10)12(14)15;1-8(2)14-7-10-4-3-9(6-13)5-11(10)12(14)15;1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;2*1-8(2)13-7-10-6-9(3)4-5-11(10)12(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;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;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-5(2)7-4-6(3)8-9-7;1-4(2)8-6(9)5(3)7;1-5(2)7(4)6(3)8;1-4(2)7-5(8)3-6/h3*3-5,8H,7H2,1-2H3;2*4-6,8H,7H2,1-3H3;5*3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);3-7,9,11H,8H2,1-2H3;3-7H,1-2H3,(H,11,12);4-5H,1-3H3;4-5H,7H2,1-3H3,(H,8,9);5H,1-4H3;4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide?
2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 3815.65 g/mol, XLogP of 37.88, 35 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-ylacetamide;2-amino-N-propan-2-ylpropanamide;N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;N-methyl-N-propan-2-ylacetamide;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 159601248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).