N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide

C14H18N2O3 — CID 551256

IUPACN'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-5-11(8-10)16-14(18)13(17)15-9-12-6-3-7-19-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyOERKNZPWWVIFOZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.23
Rot. Bonds3

About N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide

N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 551256) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID551256
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-5-11(8-10)16-14(18)13(17)15-9-12-6-3-7-19-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyOERKNZPWWVIFOZ-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)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-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide (CID 551256) is N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC2CCCO2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is OERKNZPWWVIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-2-5-11(8-10)16-14(18)13(17)15-9-12-6-3-7-19-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 262.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 551256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).