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

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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).