N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H29N3O4 — CID 55768084

IUPACN-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)CCCCC1
InChIInChI=1S/C21H29N3O4/c1-3-22-20(27)21(11-5-4-6-12-21)23-19(26)15-13-18(25)24(14-15)16-7-9-17(28-2)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyFMPOTRPVFLBCGT-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.00
Rot. Bonds6

About N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55768084) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55768084
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)CCCCC1
InChIInChI=1S/C21H29N3O4/c1-3-22-20(27)21(11-5-4-6-12-21)23-19(26)15-13-18(25)24(14-15)16-7-9-17(28-2)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyFMPOTRPVFLBCGT-UHFFFAOYSA-N
XLogP2.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-[[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95619416
2-[1-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217840
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
4-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541807
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120688398
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55768084) is N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCNC(=O)C1(NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)CCCCC1.
What is the InChIKey of N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FMPOTRPVFLBCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-3-22-20(27)21(11-5-4-6-12-21)23-19(26)15-13-18(25)24(14-15)16-7-9-17(28-2)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55768084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).