N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

C17H23N3O3 — CID 7292736

IUPACN'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C17H23N3O3/c1-12-9-13(2)11-14(10-12)19-17(23)16(22)18-6-4-8-20-7-3-5-15(20)21/h9-11H,3-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyNMGSHHBCKIUGJH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.37
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (PubChem CID 7292736) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
PubChem CID7292736
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C17H23N3O3/c1-12-9-13(2)11-14(10-12)19-17(23)16(22)18-6-4-8-20-7-3-5-15(20)21/h9-11H,3-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyNMGSHHBCKIUGJH-UHFFFAOYSA-N
XLogP1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (CID 7292736) is N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The InChIKey is NMGSHHBCKIUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-9-13(2)11-14(10-12)19-17(23)16(22)18-6-4-8-20-7-3-5-15(20)21/h9-11H,3-8H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide has a molecular weight of 317.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is sourced from PubChem (CID 7292736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).