N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide

C24H22N2O — CID 9442039

IUPACN-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-24(16-20-17-25-22-14-8-7-13-21(20)22)26-23(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,17,23,25H,15-16H2,(H,26,27)/t23-/m0/s1
InChIKeyYPWYMNKUMISFGB-QHCPKHFHSA-N
MW354.45 g/mol
LogP4.81
Rot. Bonds6

About N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide

N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 9442039) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID9442039
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-24(16-20-17-25-22-14-8-7-13-21(20)22)26-23(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,17,23,25H,15-16H2,(H,26,27)/t23-/m0/s1
InChIKeyYPWYMNKUMISFGB-QHCPKHFHSA-N
XLogP4.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide
CID 144668185
N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 41040985
N-[1-(3-chlorophenyl)propyl]-2-(1H-indol-3-yl)acetamide
CID 46463279
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
3-(1H-indol-3-yl)-2-[(2-phenylethanethioyl)amino]propanoic acid
CID 88772497
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 162676163
2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide
CID 90281276
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide (CID 9442039) is N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is YPWYMNKUMISFGB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22N2O/c27-24(16-20-17-25-22-14-8-7-13-21(20)22)26-23(19-11-5-2-6-12-19)15-18-9-3-1-4-10-18/h1-14,17,23,25H,15-16H2,(H,26,27)/t23-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide?
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 9442039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).