N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide

C18H18N2O — CID 39704482

IUPACN-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
SMILESC[C@H](CNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13(14-5-3-2-4-6-14)12-20-18(21)16-8-7-15-9-10-19-17(15)11-16/h2-11,13,19H,12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyOOSKHZSLBIUGHP-CYBMUJFWSA-N
MW278.36 g/mol
LogP3.70
Rot. Bonds4

About N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide

N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide (PubChem CID 39704482) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
PubChem CID39704482
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
SMILESC[C@H](CNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13(14-5-3-2-4-6-14)12-20-18(21)16-8-7-15-9-10-19-17(15)11-16/h2-11,13,19H,12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyOOSKHZSLBIUGHP-CYBMUJFWSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
CID 113336626
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
CID 78975173
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
CID 103528166
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide (CID 39704482) is N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide is C[C@H](CNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide?
The InChIKey is OOSKHZSLBIUGHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(14-5-3-2-4-6-14)12-20-18(21)16-8-7-15-9-10-19-17(15)11-16/h2-11,13,19H,12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide?
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 39704482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).