N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C20H24ClN3O4 — CID 120568987

IUPACN-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)Nc3cc(N)ccc3C)CC2=O)c(OC)c1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-12-4-5-14(21)9-16(12)22-20(25)13-8-19(24)23(11-13)17-7-6-15(26-2)10-18(17)27-3;/h4-7,9-10,13H,8,11,21H2,1-3H3,(H,22,25);1H
InChIKeyDIHKKAIXWKRZDF-UHFFFAOYSA-N
MW405.88 g/mol
LogP3.01
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120568987) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120568987
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC NameN-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)Nc3cc(N)ccc3C)CC2=O)c(OC)c1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-12-4-5-14(21)9-16(12)22-20(25)13-8-19(24)23(11-13)17-7-6-15(26-2)10-18(17)27-3;/h4-7,9-10,13H,8,11,21H2,1-3H3,(H,22,25);1H
InChIKeyDIHKKAIXWKRZDF-UHFFFAOYSA-N
XLogP3.01
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351533
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
N-(2,5-difluorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51158561
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351512
N-(2-tert-butylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904433
1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
(3S)-N-(2,5-dimethylphenyl)-1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056575
1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 112762981
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120568987) is N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is COc1ccc(N2CC(C(=O)Nc3cc(N)ccc3C)CC2=O)c(OC)c1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DIHKKAIXWKRZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4.ClH/c1-12-4-5-14(21)9-16(12)22-20(25)13-8-19(24)23(11-13)17-7-6-15(26-2)10-18(17)27-3;/h4-7,9-10,13H,8,11,21H2,1-3H3,(H,22,25);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 405.88 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120568987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).