N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H33N3O3 — CID 42904638

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NCC2(N(C)C)CCCCC2)CC1=O
InChIInChI=1S/C22H33N3O3/c1-16-8-9-19(28-4)18(12-16)25-14-17(13-20(25)26)21(27)23-15-22(24(2)3)10-6-5-7-11-22/h8-9,12,17H,5-7,10-11,13-15H2,1-4H3,(H,23,27)
InChIKeyFTFLUDPBMCIFJL-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.74
Rot. Bonds6

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42904638) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42904638
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NCC2(N(C)C)CCCCC2)CC1=O
InChIInChI=1S/C22H33N3O3/c1-16-8-9-19(28-4)18(12-16)25-14-17(13-20(25)26)21(27)23-15-22(24(2)3)10-6-5-7-11-22/h8-9,12,17H,5-7,10-11,13-15H2,1-4H3,(H,23,27)
InChIKeyFTFLUDPBMCIFJL-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541802
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566446
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363496
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363499
1-(2-methoxy-5-methylphenyl)-N-[2-(N-methylanilino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55447438
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85002063
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42904638) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)NCC2(N(C)C)CCCCC2)CC1=O.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FTFLUDPBMCIFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16-8-9-19(28-4)18(12-16)25-14-17(13-20(25)26)21(27)23-15-22(24(2)3)10-6-5-7-11-22/h8-9,12,17H,5-7,10-11,13-15H2,1-4H3,(H,23,27).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42904638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).