N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C21H30N2O4 — CID 22429047

IUPACN-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(OC)c(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H30N2O4/c1-21(20(25)22-16-7-5-4-6-8-16)12-11-19(24)23(21)14-15-13-17(26-2)9-10-18(15)27-3/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H,22,25)
InChIKeyLJFVVZZWFTZLGB-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.03
Rot. Bonds6

About N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 22429047) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID22429047
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(OC)c(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H30N2O4/c1-21(20(25)22-16-7-5-4-6-8-16)12-11-19(24)23(21)14-15-13-17(26-2)9-10-18(15)27-3/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H,22,25)
InChIKeyLJFVVZZWFTZLGB-UHFFFAOYSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1-[(4-ethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 20968052
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4108715
1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4099290
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclopentyl-1-ethyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 45106070
(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907
N-cyclopentyl-1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247056
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2,4-dimethoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742993
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058827
N-cyclopentyl-10-[2-(2,5-dimethoxyphenyl)ethyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756230

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 22429047) is N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(OC)c(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LJFVVZZWFTZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-21(20(25)22-16-7-5-4-6-8-16)12-11-19(24)23(21)14-15-13-17(26-2)9-10-18(15)27-3/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H,22,25).
What are the key properties of N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 22429047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).