N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119476469

IUPACN-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1N1CC(C(=O)NC2CCC(N)CC2)CC1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-12-3-8-17(25-2)16(9-12)22-11-13(10-18(22)23)19(24)21-15-6-4-14(20)5-7-15;/h3,8-9,13-15H,4-7,10-11,20H2,1-2H3,(H,21,24);1H
InChIKeyWBXOSMWJWVOACP-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.16
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119476469) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119476469
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1N1CC(C(=O)NC2CCC(N)CC2)CC1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-12-3-8-17(25-2)16(9-12)22-11-13(10-18(22)23)19(24)21-15-6-4-14(20)5-7-15;/h3,8-9,13-15H,4-7,10-11,20H2,1-2H3,(H,21,24);1H
InChIKeyWBXOSMWJWVOACP-UHFFFAOYSA-N
XLogP2.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
N-[2-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119602641
(3R)-N-[(1R,2S)-2-carbamoylcyclohexyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95973063
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
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
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
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
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119476469) is N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is COc1ccc(C)cc1N1CC(C(=O)NC2CCC(N)CC2)CC1=O.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is WBXOSMWJWVOACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-12-3-8-17(25-2)16(9-12)22-11-13(10-18(22)23)19(24)21-15-6-4-14(20)5-7-15;/h3,8-9,13-15H,4-7,10-11,20H2,1-2H3,(H,21,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119476469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).