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

C20H32ClN3O4 — CID 119815316

IUPAC7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)CCCCCCN)C2=O)c1.Cl
InChIInChI=1S/C20H31N3O4.ClH/c1-22(19(24)8-6-4-5-7-10-21)18-9-11-23(20(18)25)15-12-16(26-2)14-17(13-15)27-3;/h12-14,18H,4-11,21H2,1-3H3;1H
InChIKeyBZIHBYOPXBXTSE-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.60
Rot. Bonds10

About 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride

7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride (PubChem CID 119815316) has the molecular formula C20H32ClN3O4 and a molecular weight of 413.95 g/mol. Its IUPAC name is 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
PubChem CID119815316
Molecular FormulaC20H32ClN3O4
Molecular Weight413.95 g/mol
Exact Mass413.21
IUPAC Name7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)CCCCCCN)C2=O)c1.Cl
InChIInChI=1S/C20H31N3O4.ClH/c1-22(19(24)8-6-4-5-7-10-21)18-9-11-23(20(18)25)15-12-16(26-2)14-17(13-15)27-3;/h12-14,18H,4-11,21H2,1-3H3;1H
InChIKeyBZIHBYOPXBXTSE-UHFFFAOYSA-N
XLogP2.60
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 119341756
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119815344
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
CID 119341758
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide
CID 139014730
3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 86936136

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride (CID 119815316) is 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride is COc1cc(OC)cc(N2CCC(N(C)C(=O)CCCCCCN)C2=O)c1.Cl.
What is the InChIKey of 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride?
The InChIKey is BZIHBYOPXBXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4.ClH/c1-22(19(24)8-6-4-5-7-10-21)18-9-11-23(20(18)25)15-12-16(26-2)14-17(13-15)27-3;/h12-14,18H,4-11,21H2,1-3H3;1H.
What are the key properties of 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride?
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride is sourced from PubChem (CID 119815316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).