N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride

C18H26ClN3O4 — CID 119815344

IUPACN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)C3CCNC3)C2=O)c1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-20(17(22)12-4-6-19-11-12)16-5-7-21(18(16)23)13-8-14(24-2)10-15(9-13)25-3;/h8-10,12,16,19H,4-7,11H2,1-3H3;1H
InChIKeyFOPHEVZUHMXWFS-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.30
Rot. Bonds5

About N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride

N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119815344) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119815344
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)C3CCNC3)C2=O)c1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-20(17(22)12-4-6-19-11-12)16-5-7-21(18(16)23)13-8-14(24-2)10-15(9-13)25-3;/h8-10,12,16,19H,4-7,11H2,1-3H3;1H
InChIKeyFOPHEVZUHMXWFS-UHFFFAOYSA-N
XLogP1.30
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 119341756
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride
CID 120904513
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
CID 119341758
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
CID 120904514
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide
CID 139014730
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]pyrrolidin-2-one
CID 124608907
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
CID 133428745

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119815344) is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride is COc1cc(OC)cc(N2CCC(N(C)C(=O)C3CCNC3)C2=O)c1.Cl.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is FOPHEVZUHMXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4.ClH/c1-20(17(22)12-4-6-19-11-12)16-5-7-21(18(16)23)13-8-14(24-2)10-15(9-13)25-3;/h8-10,12,16,19H,4-7,11H2,1-3H3;1H.
What are the key properties of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119815344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).