(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H30N2O3 — CID 11928680

IUPAC(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCC[C@H](C)[C@@H]3C)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-4-26-18-10-8-17(9-11-18)22-21(25)16-12-20(24)23(13-16)19-7-5-6-14(2)15(19)3/h8-11,14-16,19H,4-7,12-13H2,1-3H3,(H,22,25)/t14-,15-,16+,19-/m0/s1
InChIKeyHNUPSWTYFHMOMB-GGXPGOJBSA-N
MW358.48 g/mol
LogP3.70
Rot. Bonds5

About (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 11928680) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID11928680
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCC[C@H](C)[C@@H]3C)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-4-26-18-10-8-17(9-11-18)22-21(25)16-12-20(24)23(13-16)19-7-5-6-14(2)15(19)3/h8-11,14-16,19H,4-7,12-13H2,1-3H3,(H,22,25)/t14-,15-,16+,19-/m0/s1
InChIKeyHNUPSWTYFHMOMB-GGXPGOJBSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(2,3-dimethylcyclohexyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17481851
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
(3R)-N-[4-(diethylcarbamoyl)phenyl]-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 11928640
(3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 11937728
dimethyl 5-[[(3R)-1-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 98544003
dimethyl 5-[[1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 42916396
(3R)-N-(4-acetamido-3-chlorophenyl)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 100848200
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
1-(2,3-dimethylcyclohexyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916132
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 11928680) is (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCC[C@H](C)[C@@H]3C)C2)cc1.
What is the InChIKey of (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HNUPSWTYFHMOMB-GGXPGOJBSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-4-26-18-10-8-17(9-11-18)22-21(25)16-12-20(24)23(13-16)19-7-5-6-14(2)15(19)3/h8-11,14-16,19H,4-7,12-13H2,1-3H3,(H,22,25)/t14-,15-,16+,19-/m0/s1.
What are the key properties of (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 11928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).