N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C17H25N3O3 — CID 119419403

IUPACN-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)Nc2ccc(OC)c(N)c2)CC1=O
InChIInChI=1S/C17H25N3O3/c1-4-13(5-2)20-10-11(8-16(20)21)17(22)19-12-6-7-15(23-3)14(18)9-12/h6-7,9,11,13H,4-5,8,10,18H2,1-3H3,(H,19,22)
InChIKeySNTWPOZONXBGAV-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.25
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 119419403) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID119419403
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)Nc2ccc(OC)c(N)c2)CC1=O
InChIInChI=1S/C17H25N3O3/c1-4-13(5-2)20-10-11(8-16(20)21)17(22)19-12-6-7-15(23-3)14(18)9-12/h6-7,9,11,13H,4-5,8,10,18H2,1-3H3,(H,19,22)
InChIKeySNTWPOZONXBGAV-UHFFFAOYSA-N
XLogP2.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826759
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119420226
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119419140
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182204
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
1-butan-2-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 113182243
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 119419403) is N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)Nc2ccc(OC)c(N)c2)CC1=O.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is SNTWPOZONXBGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-13(5-2)20-10-11(8-16(20)21)17(22)19-12-6-7-15(23-3)14(18)9-12/h6-7,9,11,13H,4-5,8,10,18H2,1-3H3,(H,19,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119419403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).