1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide

C13H18N2O2 — CID 176930266

IUPAC1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C13H18N2O2/c1-14-13(16)11-8-15(9-11)7-10-3-5-12(17-2)6-4-10/h3-6,11H,7-9H2,1-2H3,(H,14,16)
InChIKeySBMRNMFGPPJACQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.87
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide (PubChem CID 176930266) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
PubChem CID176930266
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C13H18N2O2/c1-14-13(16)11-8-15(9-11)7-10-3-5-12(17-2)6-4-10/h3-6,11H,7-9H2,1-2H3,(H,14,16)
InChIKeySBMRNMFGPPJACQ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
CID 176930441
N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931109
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
1-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930187
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
1-[[4-[(2-cyano-4-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930777
1-[[4-[(5-cyano-2-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930892
1-[[4-[2-[3-(difluoromethoxy)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930447
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930466
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 124805025

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide (CID 176930266) is 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is SBMRNMFGPPJACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-13(16)11-8-15(9-11)7-10-3-5-12(17-2)6-4-10/h3-6,11H,7-9H2,1-2H3,(H,14,16).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 176930266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).