(3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H27N3O4 — CID 95973063

IUPAC(3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CC1=O
InChIInChI=1S/C20H27N3O4/c1-12-7-8-17(27-2)16(9-12)23-11-13(10-18(23)24)20(26)22-15-6-4-3-5-14(15)19(21)25/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,21,25)(H,22,26)/t13-,14+,15-/m1/s1
InChIKeyCCQDTEVKEOCNSG-QLFBSQMISA-N
MW373.45 g/mol
LogP1.52
Rot. Bonds5

About (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95973063) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95973063
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CC1=O
InChIInChI=1S/C20H27N3O4/c1-12-7-8-17(27-2)16(9-12)23-11-13(10-18(23)24)20(26)22-15-6-4-3-5-14(15)19(21)25/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,21,25)(H,22,26)/t13-,14+,15-/m1/s1
InChIKeyCCQDTEVKEOCNSG-QLFBSQMISA-N
XLogP1.52
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119602641
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119476469
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85002063
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788294
N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566446
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634453

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 95973063) is (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CC1=O.
What is the InChIKey of (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CCQDTEVKEOCNSG-QLFBSQMISA-N. The full InChI is InChI=1S/C20H27N3O4/c1-12-7-8-17(27-2)16(9-12)23-11-13(10-18(23)24)20(26)22-15-6-4-3-5-14(15)19(21)25/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,21,25)(H,22,26)/t13-,14+,15-/m1/s1.
What are the key properties of (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95973063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).