N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide

C14H19NO4 — CID 171883001

IUPACN-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-9(16)11-5-3-4-6-12(11)14(19)13(18)7-8-15-10(2)17/h3-6,13-14,18-19H,7-8H2,1-2H3,(H,15,17)
InChIKeyVJPMYRRNECKZRW-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.81
Rot. Bonds6

About N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide

N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171883001) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171883001
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-9(16)11-5-3-4-6-12(11)14(19)13(18)7-8-15-10(2)17/h3-6,13-14,18-19H,7-8H2,1-2H3,(H,15,17)
InChIKeyVJPMYRRNECKZRW-UHFFFAOYSA-N
XLogP0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]ethanone
CID 171874044
N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171883377
methyl 3-(4-acetamido-1,2-dihydroxybutyl)-2-aminobenzoate
CID 171883727
N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
CID 171883384
1-[3-[1,2-dihydroxy-4-(methylamino)butyl]-2-fluorophenyl]ethanone
CID 171890543
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882639
N-[4-(4-bromo-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884118
N-[3,4-dihydroxy-4-(2,3,4-trifluorophenyl)butyl]acetamide
CID 171882871
N-[2-[1,2-dihydroxy-4-(methylamino)butyl]phenyl]acetamide
CID 171890704
N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
CID 171883274
2-(4-acetamido-1,2-dihydroxybutyl)-5-methoxybenzoic acid
CID 171883663

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide (CID 171883001) is N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccccc1C(C)=O.
What is the InChIKey of N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is VJPMYRRNECKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(16)11-5-3-4-6-12(11)14(19)13(18)7-8-15-10(2)17/h3-6,13-14,18-19H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).