N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide

C13H18N2O2 — CID 66181882

IUPACN-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(O)cc1)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-2-15(11-8-14-9-11)13(17)7-10-3-5-12(16)6-4-10/h3-6,11,14,16H,2,7-9H2,1H3
InChIKeyXPLJQMRCBIYQOD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.75
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide

N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide (PubChem CID 66181882) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
PubChem CID66181882
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(O)cc1)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-2-15(11-8-14-9-11)13(17)7-10-3-5-12(16)6-4-10/h3-6,11,14,16H,2,7-9H2,1H3
InChIKeyXPLJQMRCBIYQOD-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
CID 66183611
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-hydroxyphenyl)ethanone
CID 66211397
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
CID 66183584
N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
CID 66182098
N-(azetidin-3-yl)-N-ethyl-2-methoxyacetamide
CID 66182532
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 66184450
N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 66181905

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide (CID 66181882) is N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide is CCN(C(=O)Cc1ccc(O)cc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide?
The InChIKey is XPLJQMRCBIYQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-15(11-8-14-9-11)13(17)7-10-3-5-12(16)6-4-10/h3-6,11,14,16H,2,7-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide?
N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 66181882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).