N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide

C13H18N2O2 — CID 115158671

IUPACN-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
SMILESCOc1cc(C)cc(C)c1NC(=O)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-8-4-9(2)12(11(5-8)17-3)15-13(16)10-6-14-7-10/h4-5,10,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyPLAJKSJXTPDNPI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.47
Rot. Bonds3

About N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide

N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide (PubChem CID 115158671) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
PubChem CID115158671
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
SMILESCOc1cc(C)cc(C)c1NC(=O)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-8-4-9(2)12(11(5-8)17-3)15-13(16)10-6-14-7-10/h4-5,10,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyPLAJKSJXTPDNPI-UHFFFAOYSA-N
XLogP1.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
CID 115159032
N-(2-methoxy-4,6-dimethylphenyl)morpholine-3-carboxamide
CID 115177560
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158841
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158909
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
CID 66009992
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
CID 142435308
3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161356
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide (CID 115158671) is N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide is COc1cc(C)cc(C)c1NC(=O)C1CNC1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide?
The InChIKey is PLAJKSJXTPDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-4-9(2)12(11(5-8)17-3)15-13(16)10-6-14-7-10/h4-5,10,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide?
N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 115158671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).