[2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate

C24H24N2O5 — CID 135011560

IUPAC[2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate
SMILESCOc1ccc(CN2C(=O)CC(OC(C)=O)C2(C)C(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C24H24N2O5/c1-16(27)31-21-14-22(28)26(15-17-8-10-19(30-3)11-9-17)24(21,2)23(29)25-13-12-18-6-4-5-7-20(18)25/h4-13,21H,14-15H2,1-3H3
InChIKeyBSLHZXREMYEOBD-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.41
Rot. Bonds5

About [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate

[2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate (PubChem CID 135011560) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate
PubChem CID135011560
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate
SMILESCOc1ccc(CN2C(=O)CC(OC(C)=O)C2(C)C(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C24H24N2O5/c1-16(27)31-21-14-22(28)26(15-17-8-10-19(30-3)11-9-17)24(21,2)23(29)25-13-12-18-6-4-5-7-20(18)25/h4-13,21H,14-15H2,1-3H3
InChIKeyBSLHZXREMYEOBD-UHFFFAOYSA-N
XLogP3.41
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,7aR)-3a-hydroxy-7a-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-3H-indol-2-one
CID 134866796
methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
CID 135011562
[2-[(4-methoxyphenyl)methyl]-3-oxo-2-azabicyclo[2.2.1]heptan-6-yl] acetate
CID 14843095
(1R,5S,6S)-7,7-dibromo-2-[(4-methoxyphenyl)methyl]-1,5-dimethyl-2-azabicyclo[4.1.0]heptan-3-one
CID 11732485
methyl (2S)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-(2-phenylethyl)azetidine-2-carboxylate
CID 102387644
1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175025712
N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75356695
[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 155160735
[(3S)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
CID 162415715
[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
CID 162415890
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259

Frequently Asked Questions

What is the IUPAC name of [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate?
The IUPAC name of [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate (CID 135011560) is [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate?
The canonical SMILES for [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate is COc1ccc(CN2C(=O)CC(OC(C)=O)C2(C)C(=O)n2ccc3ccccc32)cc1.
What is the InChIKey of [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate?
The InChIKey is BSLHZXREMYEOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-16(27)31-21-14-22(28)26(15-17-8-10-19(30-3)11-9-17)24(21,2)23(29)25-13-12-18-6-4-5-7-20(18)25/h4-13,21H,14-15H2,1-3H3.
What are the key properties of [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate?
[2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate has a molecular weight of 420.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(indole-1-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 135011560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).