N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

C16H21N3O4 — CID 7541565

IUPACN'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C16H21N3O4/c1-23-13-6-2-5-12(11-13)18-16(22)15(21)17-8-4-10-19-9-3-7-14(19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyKFAVJOKDFXSRHD-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.76
Rot. Bonds6

About N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (PubChem CID 7541565) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
PubChem CID7541565
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C16H21N3O4/c1-23-13-6-2-5-12(11-13)18-16(22)15(21)17-8-4-10-19-9-3-7-14(19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyKFAVJOKDFXSRHD-UHFFFAOYSA-N
XLogP0.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (CID 7541565) is N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is COc1cccc(NC(=O)C(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The InChIKey is KFAVJOKDFXSRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-23-13-6-2-5-12(11-13)18-16(22)15(21)17-8-4-10-19-9-3-7-14(19)20/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide has a molecular weight of 319.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is sourced from PubChem (CID 7541565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).