N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide

C18H17N3O — CID 70373696

IUPACN-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide
SMILESC=C(N)C(NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-12(19)17(13-7-3-2-4-8-13)21-18(22)16-11-14-9-5-6-10-15(14)20-16/h2-11,17,20H,1,19H2,(H,21,22)
InChIKeyCHKKPCMXTKQUQQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.11
Rot. Bonds4

About N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide

N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide (PubChem CID 70373696) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide
PubChem CID70373696
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide
SMILESC=C(N)C(NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-12(19)17(13-7-3-2-4-8-13)21-18(22)16-11-14-9-5-6-10-15(14)20-16/h2-11,17,20H,1,19H2,(H,21,22)
InChIKeyCHKKPCMXTKQUQQ-UHFFFAOYSA-N
XLogP3.11
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
CID 93077064
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
(1H-indole-2-carbonylamino)thiourea
CID 15483527
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
CID 55963560
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-[N'-(2-phenylethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 70215864
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide (CID 70373696) is N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide is C=C(N)C(NC(=O)c1cc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide?
The InChIKey is CHKKPCMXTKQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12(19)17(13-7-3-2-4-8-13)21-18(22)16-11-14-9-5-6-10-15(14)20-16/h2-11,17,20H,1,19H2,(H,21,22).
What are the key properties of N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide?
N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70373696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).