N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide

C13H18N2O3 — CID 115158658

IUPACN-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC2)c(OC)c1C
InChIInChI=1S/C13H18N2O3/c1-8-11(17-2)5-4-10(12(8)18-3)15-13(16)9-6-14-7-9/h4-5,9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyKSGPHXDFMOAHGP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.17
Rot. Bonds4

About N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide

N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide (PubChem CID 115158658) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
PubChem CID115158658
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CNC2)c(OC)c1C
InChIInChI=1S/C13H18N2O3/c1-8-11(17-2)5-4-10(12(8)18-3)15-13(16)9-6-14-7-9/h4-5,9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyKSGPHXDFMOAHGP-UHFFFAOYSA-N
XLogP1.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethoxy-3-methylphenyl)azetidine-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

Related Compounds

N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
CID 115166939
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide
CID 110792941
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
CID 110774594
N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
CID 115159376
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
CID 115158671

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide (CID 115158658) is N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide is COc1ccc(NC(=O)C2CNC2)c(OC)c1C.
What is the InChIKey of N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide?
The InChIKey is KSGPHXDFMOAHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-11(17-2)5-4-10(12(8)18-3)15-13(16)9-6-14-7-9/h4-5,9,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide?
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 115158658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).