N'-(3-acetylphenyl)-N'-hydroxybutanediamide

C12H14N2O4 — CID 174524493

IUPACN'-(3-acetylphenyl)-N'-hydroxybutanediamide
SMILESCC(=O)c1cccc(N(O)C(=O)CCC(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-8(15)9-3-2-4-10(7-9)14(18)12(17)6-5-11(13)16/h2-4,7,18H,5-6H2,1H3,(H2,13,16)
InChIKeyLAPSSZRQYPXORJ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.88
Rot. Bonds5

About N'-(3-acetylphenyl)-N'-hydroxybutanediamide

N'-(3-acetylphenyl)-N'-hydroxybutanediamide (PubChem CID 174524493) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N'-hydroxybutanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N'-hydroxybutanediamide
PubChem CID174524493
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN'-(3-acetylphenyl)-N'-hydroxybutanediamide
SMILESCC(=O)c1cccc(N(O)C(=O)CCC(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-8(15)9-3-2-4-10(7-9)14(18)12(17)6-5-11(13)16/h2-4,7,18H,5-6H2,1H3,(H2,13,16)
InChIKeyLAPSSZRQYPXORJ-UHFFFAOYSA-N
XLogP0.88
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetyl-N-methylanilino)butan-2-one
CID 117029542
3-[3-acetyl-N-(3-methylbutanoyl)anilino]propanoic acid
CID 82321334
ethyl 3-acetylbenzoate
CID 11298463
2-(3-acetyl-N-nitrosoanilino)acetic acid
CID 14984140
N-[3-[carbamoyl(hydroxy)amino]phenyl]acetamide
CID 141173761
1-[3-[(4-amino-2-hydroxybutyl)-methylamino]phenyl]ethanone
CID 112514419
4-(3-acetylphenyl)but-3-enamide
CID 170797804
4-(3-acetyl-N-methylanilino)benzoic acid
CID 117029329
3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide
CID 46644938
1-[3-(3-acetylphenyl)sulfanyloxysulfanylphenyl]ethanone
CID 174717527
methyl 2-(3-acetyl-N-methylanilino)-3-methoxyprop-2-enoate
CID 54423458
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N'-hydroxybutanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N'-hydroxybutanediamide (CID 174524493) is N'-(3-acetylphenyl)-N'-hydroxybutanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N'-hydroxybutanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N'-hydroxybutanediamide is CC(=O)c1cccc(N(O)C(=O)CCC(N)=O)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N'-hydroxybutanediamide?
The InChIKey is LAPSSZRQYPXORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(15)9-3-2-4-10(7-9)14(18)12(17)6-5-11(13)16/h2-4,7,18H,5-6H2,1H3,(H2,13,16).
What are the key properties of N'-(3-acetylphenyl)-N'-hydroxybutanediamide?
N'-(3-acetylphenyl)-N'-hydroxybutanediamide has a molecular weight of 250.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N'-hydroxybutanediamide is sourced from PubChem (CID 174524493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).