3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide

C19H22N2O2 — CID 166615999

IUPAC3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C19H22N2O2/c22-17-8-6-15(7-9-17)10-11-21-18(23)19(13-20-14-19)12-16-4-2-1-3-5-16/h1-9,20,22H,10-14H2,(H,21,23)
InChIKeyCNWFEJNBOVSAJH-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.88
Rot. Bonds6

About 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide

3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide (PubChem CID 166615999) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
PubChem CID166615999
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C19H22N2O2/c22-17-8-6-15(7-9-17)10-11-21-18(23)19(13-20-14-19)12-16-4-2-1-3-5-16/h1-9,20,22H,10-14H2,(H,21,23)
InChIKeyCNWFEJNBOVSAJH-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide
CID 166618484
3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide
CID 166623393
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide
CID 166613539
3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide
CID 71920831
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600576
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
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(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
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N-[2-(4-hydroxyphenyl)ethyl]-4-methyldithiolane-4-carboxamide
CID 45111583
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 23600598

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide (CID 166615999) is 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide is O=C(NCCc1ccc(O)cc1)C1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide?
The InChIKey is CNWFEJNBOVSAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-17-8-6-15(7-9-17)10-11-21-18(23)19(13-20-14-19)12-16-4-2-1-3-5-16/h1-9,20,22H,10-14H2,(H,21,23).
What are the key properties of 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide?
3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 166615999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).