N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide

C18H18N2O — CID 63010445

IUPACN-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C18H18N2O/c1-13(12-14-6-3-2-4-7-14)20-18(21)16-8-5-9-17-15(16)10-11-19-17/h2-11,13,19H,12H2,1H3,(H,20,21)
InChIKeyFKCVPSWXFLWSBM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide

N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide (PubChem CID 63010445) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
PubChem CID63010445
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C18H18N2O/c1-13(12-14-6-3-2-4-7-14)20-18(21)16-8-5-9-17-15(16)10-11-19-17/h2-11,13,19H,12H2,1H3,(H,20,21)
InChIKeyFKCVPSWXFLWSBM-UHFFFAOYSA-N
XLogP3.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-[(2R)-1-oxo-5-phenylpentan-2-yl]-1H-indole-4-carboxamide
CID 173354341
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467273
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
1H-indole-4-carbohydrazide
CID 43316644
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide (CID 63010445) is N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide is CC(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide?
The InChIKey is FKCVPSWXFLWSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(12-14-6-3-2-4-7-14)20-18(21)16-8-5-9-17-15(16)10-11-19-17/h2-11,13,19H,12H2,1H3,(H,20,21).
What are the key properties of N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide?
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 63010445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).