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

C18H28ClN3O4 — CID 119341758

IUPAC2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)C1CCN(c2cc(OC)cc(OC)c2)C1=O.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-5-6-15(19)17(22)20(2)16-7-8-21(18(16)23)12-9-13(24-3)11-14(10-12)25-4;/h9-11,15-16H,5-8,19H2,1-4H3;1H
InChIKeyNYQSCKBCHMSZDD-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.82
Rot. Bonds7

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

2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride (PubChem CID 119341758) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
PubChem CID119341758
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC Name2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)C1CCN(c2cc(OC)cc(OC)c2)C1=O.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-5-6-15(19)17(22)20(2)16-7-8-21(18(16)23)12-9-13(24-3)11-14(10-12)25-4;/h9-11,15-16H,5-8,19H2,1-4H3;1H
InChIKeyNYQSCKBCHMSZDD-UHFFFAOYSA-N
XLogP1.82
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 119341756
2-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 119319409
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119341793
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119815344
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide
CID 139014730
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
CID 133428745
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride
CID 120904513

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride (CID 119341758) is 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride is CCCC(N)C(=O)N(C)C1CCN(c2cc(OC)cc(OC)c2)C1=O.Cl.
What is the InChIKey of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride?
The InChIKey is NYQSCKBCHMSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-5-6-15(19)17(22)20(2)16-7-8-21(18(16)23)12-9-13(24-3)11-14(10-12)25-4;/h9-11,15-16H,5-8,19H2,1-4H3;1H.
What are the key properties of 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride?
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 119341758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).