N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide

C15H22N2O — CID 115159125

IUPACN-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
SMILESCc1ccc(C(C)(C)CNC(=O)C2CNC2)cc1
InChIInChI=1S/C15H22N2O/c1-11-4-6-13(7-5-11)15(2,3)10-17-14(18)12-8-16-9-12/h4-7,12,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyBPDXAJGTECJXDZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.61
Rot. Bonds4

About N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide

N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide (PubChem CID 115159125) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
PubChem CID115159125
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
SMILESCc1ccc(C(C)(C)CNC(=O)C2CNC2)cc1
InChIInChI=1S/C15H22N2O/c1-11-4-6-13(7-5-11)15(2,3)10-17-14(18)12-8-16-9-12/h4-7,12,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyBPDXAJGTECJXDZ-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
N-[2-methyl-2-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 119318660
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119334148
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 119760054
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119311595
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide (CID 115159125) is N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide is Cc1ccc(C(C)(C)CNC(=O)C2CNC2)cc1.
What is the InChIKey of N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide?
The InChIKey is BPDXAJGTECJXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-6-13(7-5-11)15(2,3)10-17-14(18)12-8-16-9-12/h4-7,12,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide?
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide is sourced from PubChem (CID 115159125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).