1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one

C29H29N3O2 — CID 159421118

IUPAC1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one
SMILESCc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(N4CCCC4=O)ccc23)c2ccccc2)cc1
InChIInChI=1S/C29H29N3O2/c1-20-9-11-21(12-10-20)15-16-30-28(22-6-3-2-4-7-22)29(34)25-19-31-26-18-23(13-14-24(25)26)32-17-5-8-27(32)33/h2-4,6-7,9-14,18-19,28,30-31H,5,8,15-17H2,1H3/t28-/m0/s1
InChIKeyFCUVTHMZQKRBJF-NDEPHWFRSA-N
MW451.57 g/mol
LogP5.36
Rot. Bonds8

About 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one

1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one (PubChem CID 159421118) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one
PubChem CID159421118
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one
SMILESCc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(N4CCCC4=O)ccc23)c2ccccc2)cc1
InChIInChI=1S/C29H29N3O2/c1-20-9-11-21(12-10-20)15-16-30-28(22-6-3-2-4-7-22)29(34)25-19-31-26-18-23(13-14-24(25)26)32-17-5-8-27(32)33/h2-4,6-7,9-14,18-19,28,30-31H,5,8,15-17H2,1H3/t28-/m0/s1
InChIKeyFCUVTHMZQKRBJF-NDEPHWFRSA-N
XLogP5.36
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one 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

3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-6-carboxamide
CID 158666863
bis(3-methyl-1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one);bis(3-methyl-1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]ethanone
CID 160921808
N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 139422932
(2R)-1-[6-(1-ethylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 159919528
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-pyridin-4-yl-1H-indol-3-yl)ethanone
CID 139423104
3-[(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]-N-propan-2-yl-1H-indole-6-carboxamide
CID 139422982
3-[2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]-N-propan-2-yl-1H-indole-6-carboxamide
CID 139423180
2-[2-(4-chlorophenyl)ethylamino]-1-[6-(1-methylimidazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139423125
(2R)-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylethanone
CID 158666858
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 139422927
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one (CID 159421118) is 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one is Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(N4CCCC4=O)ccc23)c2ccccc2)cc1.
What is the InChIKey of 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one?
The InChIKey is FCUVTHMZQKRBJF-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-20-9-11-21(12-10-20)15-16-30-28(22-6-3-2-4-7-22)29(34)25-19-31-26-18-23(13-14-24(25)26)32-17-5-8-27(32)33/h2-4,6-7,9-14,18-19,28,30-31H,5,8,15-17H2,1H3/t28-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one?
1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one has a molecular weight of 451.57 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 159421118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).