N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide

C12H15NO3 — CID 117315615

IUPACN-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(O)cccc1C(C)CC=O
InChIInChI=1S/C12H15NO3/c1-8(6-7-14)10-4-3-5-11(16)12(10)13-9(2)15/h3-5,7-8,16H,6H2,1-2H3,(H,13,15)
InChIKeyNSKRSEPYLDZZRC-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.04
Rot. Bonds4

About N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide

N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide (PubChem CID 117315615) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide
PubChem CID117315615
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(O)cccc1C(C)CC=O
InChIInChI=1S/C12H15NO3/c1-8(6-7-14)10-4-3-5-11(16)12(10)13-9(2)15/h3-5,7-8,16H,6H2,1-2H3,(H,13,15)
InChIKeyNSKRSEPYLDZZRC-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[2-(difluoromethyl)phenyl]butanal
CID 117287781
3-(2-hydroxy-3-methoxyphenyl)butanal
CID 83830642
3-[3-(difluoromethyl)-2-methoxyphenyl]butanal
CID 117328540
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
3-(2-hydroxy-4,5-dimethylphenyl)butanal
CID 117283147
3-(1,3-dihydro-2-benzofuran-4-yl)butanal
CID 117281892
5-hydroxy-2-(4-oxobutan-2-yl)benzaldehyde
CID 117282912
3-[3-fluoro-2-(1-fluoroethyl)phenyl]butanal
CID 117302958
N-[2-(2-aminopropan-2-yl)-6-hydroxyphenyl]acetamide
CID 117297770
3-(2-hydroxy-6-methylsulfonylphenyl)butanal
CID 117357865
3-(2-bromo-3-methoxyphenyl)butanal
CID 117395551
3-phthalazin-5-ylbutanal
CID 117289425

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide (CID 117315615) is N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide is CC(=O)Nc1c(O)cccc1C(C)CC=O.
What is the InChIKey of N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide?
The InChIKey is NSKRSEPYLDZZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(6-7-14)10-4-3-5-11(16)12(10)13-9(2)15/h3-5,7-8,16H,6H2,1-2H3,(H,13,15).
What are the key properties of N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide?
N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-6-(4-oxobutan-2-yl)phenyl]acetamide is sourced from PubChem (CID 117315615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).