N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H31N3O4 — CID 119600411

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)cc(N2CC(C(=O)NC(C)(CN)CC(C)C)CC2=O)c1
InChIInChI=1S/C20H31N3O4/c1-13(2)10-20(3,12-21)22-19(25)14-6-18(24)23(11-14)15-7-16(26-4)9-17(8-15)27-5/h7-9,13-14H,6,10-12,21H2,1-5H3,(H,22,25)
InChIKeyWZCJOOKDXLDRGZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.94
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119600411) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119600411
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)cc(N2CC(C(=O)NC(C)(CN)CC(C)C)CC2=O)c1
InChIInChI=1S/C20H31N3O4/c1-13(2)10-20(3,12-21)22-19(25)14-6-18(24)23(11-14)15-7-16(26-4)9-17(8-15)27-5/h7-9,13-14H,6,10-12,21H2,1-5H3,(H,22,25)
InChIKeyWZCJOOKDXLDRGZ-UHFFFAOYSA-N
XLogP1.94
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119599238
N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119598604
N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119599140
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94662458
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608316
N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119571436
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 119600411) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(OC)cc(N2CC(C(=O)NC(C)(CN)CC(C)C)CC2=O)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WZCJOOKDXLDRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-13(2)10-20(3,12-21)22-19(25)14-6-18(24)23(11-14)15-7-16(26-4)9-17(8-15)27-5/h7-9,13-14H,6,10-12,21H2,1-5H3,(H,22,25).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119600411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).