N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide

C13H18N2O2 — CID 79750828

IUPACN-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCOC2C)c(N)c1
InChIInChI=1S/C13H18N2O2/c1-8-3-4-12(11(14)7-8)15-13(16)10-5-6-17-9(10)2/h3-4,7,9-10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyFTTGBAIGRSBRQH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.94
Rot. Bonds2

About N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide

N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide (PubChem CID 79750828) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
PubChem CID79750828
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCOC2C)c(N)c1
InChIInChI=1S/C13H18N2O2/c1-8-3-4-12(11(14)7-8)15-13(16)10-5-6-17-9(10)2/h3-4,7,9-10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyFTTGBAIGRSBRQH-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide 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-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide (CID 79750828) is N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide is Cc1ccc(NC(=O)C2CCOC2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide?
The InChIKey is FTTGBAIGRSBRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-3-4-12(11(14)7-8)15-13(16)10-5-6-17-9(10)2/h3-4,7,9-10H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide?
N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79750828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).