2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide

C13H17NO2 — CID 103707492

IUPAC2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESO=C(CC1CCC1)NCc1cccc(O)c1
InChIInChI=1S/C13H17NO2/c15-12-6-2-5-11(7-12)9-14-13(16)8-10-3-1-4-10/h2,5-7,10,15H,1,3-4,8-9H2,(H,14,16)
InChIKeyLXGPYIRLGVFXHS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.20
Rot. Bonds4

About 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide

2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 103707492) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID103707492
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESO=C(CC1CCC1)NCc1cccc(O)c1
InChIInChI=1S/C13H17NO2/c15-12-6-2-5-11(7-12)9-14-13(16)8-10-3-1-4-10/h2,5-7,10,15H,1,3-4,8-9H2,(H,14,16)
InChIKeyLXGPYIRLGVFXHS-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
3-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906141
N-[(3-hydroxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 146122921
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035
2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
CID 108924164
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412
2-cyclobutyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385129
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide (CID 103707492) is 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide is O=C(CC1CCC1)NCc1cccc(O)c1.
What is the InChIKey of 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is LXGPYIRLGVFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-6-2-5-11(7-12)9-14-13(16)8-10-3-1-4-10/h2,5-7,10,15H,1,3-4,8-9H2,(H,14,16).
What are the key properties of 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide?
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 103707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).