N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide

C13H18N2O2 — CID 113411784

IUPACN-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)6-7-15-13(16)11-8-14-9-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)
InChIKeyFXAHIASEMMTFNW-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.57
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide (PubChem CID 113411784) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
PubChem CID113411784
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)6-7-15-13(16)11-8-14-9-11/h2-5,11,14H,6-9H2,1H3,(H,15,16)
InChIKeyFXAHIASEMMTFNW-UHFFFAOYSA-N
XLogP0.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5-methylpiperidine-3-carboxamide
CID 106261488
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
(3R,4S)-N-[2-(2-methoxyphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919103
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
N-[2-(2-methoxyphenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 106260939

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide (CID 113411784) is N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide is COc1ccccc1CCNC(=O)C1CNC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide?
The InChIKey is FXAHIASEMMTFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)6-7-15-13(16)11-8-14-9-11/h2-5,11,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 113411784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).