(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C24H28N2O4 — CID 125432176

IUPAC(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CC(=O)N(CCc3ccccc3)C1)CC2
InChIInChI=1S/C24H28N2O4/c1-29-21-12-17-8-9-20(19(17)14-22(21)30-2)25-24(28)18-13-23(27)26(15-18)11-10-16-6-4-3-5-7-16/h3-7,12,14,18,20H,8-11,13,15H2,1-2H3,(H,25,28)/t18-,20+/m0/s1
InChIKeyXODADXZSBRQFQO-AZUAARDMSA-N
MW408.50 g/mol
LogP2.90
Rot. Bonds7

About (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 125432176) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID125432176
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CC(=O)N(CCc3ccccc3)C1)CC2
InChIInChI=1S/C24H28N2O4/c1-29-21-12-17-8-9-20(19(17)14-22(21)30-2)25-24(28)18-13-23(27)26(15-18)11-10-16-6-4-3-5-7-16/h3-7,12,14,18,20H,8-11,13,15H2,1-2H3,(H,25,28)/t18-,20+/m0/s1
InChIKeyXODADXZSBRQFQO-AZUAARDMSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

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CID 51405841
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
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CID 26884243
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4-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 43007277
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 43021963
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 125432176) is (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is COc1cc2c(cc1OC)[C@H](NC(=O)[C@H]1CC(=O)N(CCc3ccccc3)C1)CC2.
What is the InChIKey of (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is XODADXZSBRQFQO-AZUAARDMSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-29-21-12-17-8-9-20(19(17)14-22(21)30-2)25-24(28)18-13-23(27)26(15-18)11-10-16-6-4-3-5-7-16/h3-7,12,14,18,20H,8-11,13,15H2,1-2H3,(H,25,28)/t18-,20+/m0/s1.
What are the key properties of (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 125432176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).