N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide

C12H15NO3 — CID 22239429

IUPACN-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c1-8(13-9(2)14)12(16)7-10-3-5-11(15)6-4-10/h3-6,8,15H,7H2,1-2H3,(H,13,14)
InChIKeyDOQKOSQYAORZFD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.03
Rot. Bonds4

About N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide

N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide (PubChem CID 22239429) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
PubChem CID22239429
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c1-8(13-9(2)14)12(16)7-10-3-5-11(15)6-4-10/h3-6,8,15H,7H2,1-2H3,(H,13,14)
InChIKeyDOQKOSQYAORZFD-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
(3-oxo-4-phenylbutan-2-yl)carbamic acid
CID 67239937
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
4-(4-hydroxyphenyl)-3-oxo-2-propan-2-ylbutanal
CID 142704090
3-amino-1-(4-hydroxyphenyl)-5-methylhexan-2-one
CID 116553588
(2S)-2-amino-N-[(2S)-4-[4-(hydroxymethyl)phenyl]-3-oxobutan-2-yl]propanamide
CID 158713840
3-(methylamino)-1-(4-methylphenyl)butan-2-one
CID 116565005
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
3-amino-1-(4-hydroxyphenyl)-4-methylhexan-2-one
CID 116552817
CID 59574067
CID 59574067
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide (CID 22239429) is N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide is CC(=O)NC(C)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
The InChIKey is DOQKOSQYAORZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(13-9(2)14)12(16)7-10-3-5-11(15)6-4-10/h3-6,8,15H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide is sourced from PubChem (CID 22239429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).