N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide

C18H18N2O — CID 60659511

IUPACN-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O/c1-12-7-3-4-8-14(12)13(2)20-18(21)16-11-19-17-10-6-5-9-15(16)17/h3-11,13,19H,1-2H3,(H,20,21)
InChIKeyNIMWKQONUFRPOA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.97
Rot. Bonds3

About N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide

N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide (PubChem CID 60659511) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
PubChem CID60659511
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O/c1-12-7-3-4-8-14(12)13(2)20-18(21)16-11-19-17-10-6-5-9-15(16)17/h3-11,13,19H,1-2H3,(H,20,21)
InChIKeyNIMWKQONUFRPOA-UHFFFAOYSA-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

N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
CID 169027247
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 39996078

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide (CID 60659511) is N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide is Cc1ccccc1C(C)NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is NIMWKQONUFRPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-7-3-4-8-14(12)13(2)20-18(21)16-11-19-17-10-6-5-9-15(16)17/h3-11,13,19H,1-2H3,(H,20,21).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide?
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-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 N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 60659511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).