1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide

C19H20N2O2 — CID 78888011

IUPAC1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14(13-22)20-19(23)18-11-16-9-5-6-10-17(16)21(18)12-15-7-3-2-4-8-15/h2-11,14,22H,12-13H2,1H3,(H,20,23)
InChIKeyKTNACENAWJBXSX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.80
Rot. Bonds5

About 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide

1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide (PubChem CID 78888011) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
PubChem CID78888011
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14(13-22)20-19(23)18-11-16-9-5-6-10-17(16)21(18)12-15-7-3-2-4-8-15/h2-11,14,22H,12-13H2,1H3,(H,20,23)
InChIKeyKTNACENAWJBXSX-UHFFFAOYSA-N
XLogP2.80
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
(2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 91639240
N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 135086954
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
N-[(E)-1-(4-aminophenyl)ethylideneamino]-1-benzylindole-2-carboxamide
CID 27876412
1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
CID 51361856
1-benzyl-N,N-dipropylindole-2-carboxamide
CID 69461033
S-[4-[(1-benzylindole-2-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56544298
1-benzyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]indole-2-carboxamide
CID 56546858
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide (CID 78888011) is 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide is CC(CO)NC(=O)c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide?
The InChIKey is KTNACENAWJBXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(13-22)20-19(23)18-11-16-9-5-6-10-17(16)21(18)12-15-7-3-2-4-8-15/h2-11,14,22H,12-13H2,1H3,(H,20,23).
What are the key properties of 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide?
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide is sourced from PubChem (CID 78888011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).