5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide

C20H22N2O — CID 7322431

IUPAC5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O/c1-14-8-11-18-17(12-14)13-19(22-18)20(23)21-15(2)9-10-16-6-4-3-5-7-16/h3-8,11-13,15,22H,9-10H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyNZXYBJPKEQLGOB-HNNXBMFYSA-N
MW306.41 g/mol
LogP4.23
Rot. Bonds5

About 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide

5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 7322431) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
PubChem CID7322431
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O/c1-14-8-11-18-17(12-14)13-19(22-18)20(23)21-15(2)9-10-16-6-4-3-5-7-16/h3-8,11-13,15,22H,9-10H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyNZXYBJPKEQLGOB-HNNXBMFYSA-N
XLogP4.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
CID 3921208
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 57291957
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
methyl 3-[(5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 46549528
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 130426379
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
2-[[2-[(5-methyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 45482486
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide (CID 7322431) is 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1.
What is the InChIKey of 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is NZXYBJPKEQLGOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-8-11-18-17(12-14)13-19(22-18)20(23)21-15(2)9-10-16-6-4-3-5-7-16/h3-8,11-13,15,22H,9-10H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 7322431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).