5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

C18H18N2O — CID 7322417

IUPAC5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3)cc2c1
InChIInChI=1S/C18H18N2O/c1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14/h3-11,13,20H,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyWVXQVKQLKRPAQB-ZDUSSCGKSA-N
MW278.36 g/mol
LogP3.97
Rot. Bonds3

About 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 7322417) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID7322417
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3)cc2c1
InChIInChI=1S/C18H18N2O/c1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14/h3-11,13,20H,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyWVXQVKQLKRPAQB-ZDUSSCGKSA-N
XLogP3.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
methyl 3-[(5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 46549528
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 130426379
6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55555964

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (CID 7322417) is 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccccc3)cc2c1.
What is the InChIKey of 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is WVXQVKQLKRPAQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14/h3-11,13,20H,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 7322417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).