N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide

C21H27N3O — CID 23140252

IUPACN-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
SMILESCCCN(c1ccccc1)C1CN(C(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C21H27N3O/c1-4-13-24(18-11-6-5-7-12-18)19-14-23(15-19)21(25)22-20-16(2)9-8-10-17(20)3/h5-12,19H,4,13-15H2,1-3H3,(H,22,25)
InChIKeyXXSYUYJNBIUCPH-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.44
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide

N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide (PubChem CID 23140252) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
PubChem CID23140252
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
SMILESCCCN(c1ccccc1)C1CN(C(=O)Nc2c(C)cccc2C)C1
InChIInChI=1S/C21H27N3O/c1-4-13-24(18-11-6-5-7-12-18)19-14-23(15-19)21(25)22-20-16(2)9-8-10-17(20)3/h5-12,19H,4,13-15H2,1-3H3,(H,22,25)
InChIKeyXXSYUYJNBIUCPH-UHFFFAOYSA-N
XLogP4.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-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-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
CID 23140494
N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide
CID 23140108
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
CID 72844192
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
CID 23140545
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide (CID 23140252) is N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide is CCCN(c1ccccc1)C1CN(C(=O)Nc2c(C)cccc2C)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
The InChIKey is XXSYUYJNBIUCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-13-24(18-11-6-5-7-12-18)19-14-23(15-19)21(25)22-20-16(2)9-8-10-17(20)3/h5-12,19H,4,13-15H2,1-3H3,(H,22,25).
What are the key properties of N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide is sourced from PubChem (CID 23140252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).