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

C14H20N2O2 — CID 115158856

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CNC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-3-18-13-5-4-11(6-10(13)2)7-16-14(17)12-8-15-9-12/h4-6,12,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyZYIVPFYWZLOLGO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds5

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

N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide (PubChem CID 115158856) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
PubChem CID115158856
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CNC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-3-18-13-5-4-11(6-10(13)2)7-16-14(17)12-8-15-9-12/h4-6,12,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyZYIVPFYWZLOLGO-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
CID 119285299
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-[(4-ethoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165723
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186556
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
CID 115154979
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 71982018
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338556
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110781919
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide (CID 115158856) is N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide is CCOc1ccc(CNC(=O)C2CNC2)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is ZYIVPFYWZLOLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-13-5-4-11(6-10(13)2)7-16-14(17)12-8-15-9-12/h4-6,12,15H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide?
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 115158856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).