N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide

C11H13N3O4 — CID 102522207

IUPACN-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
SMILESCC(=O)NNC(=O)c1ccc(NC(C)=O)cc1O
InChIInChI=1S/C11H13N3O4/c1-6(15)12-8-3-4-9(10(17)5-8)11(18)14-13-7(2)16/h3-5,17H,1-2H3,(H,12,15)(H,13,16)(H,14,18)
InChIKeyFMOSICLNKUWMFM-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.13
Rot. Bonds2

About N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide

N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide (PubChem CID 102522207) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
PubChem CID102522207
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
SMILESCC(=O)NNC(=O)c1ccc(NC(C)=O)cc1O
InChIInChI=1S/C11H13N3O4/c1-6(15)12-8-3-4-9(10(17)5-8)11(18)14-13-7(2)16/h3-5,17H,1-2H3,(H,12,15)(H,13,16)(H,14,18)
InChIKeyFMOSICLNKUWMFM-UHFFFAOYSA-N
XLogP0.13
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
N-[4-(cyclohexanecarbonyl)-3-hydroxyphenyl]acetamide
CID 82044053
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
CID 30850442
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide?
The IUPAC name of N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide (CID 102522207) is N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide?
The canonical SMILES for N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide is CC(=O)NNC(=O)c1ccc(NC(C)=O)cc1O.
What is the InChIKey of N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide?
The InChIKey is FMOSICLNKUWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-6(15)12-8-3-4-9(10(17)5-8)11(18)14-13-7(2)16/h3-5,17H,1-2H3,(H,12,15)(H,13,16)(H,14,18).
What are the key properties of N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide?
N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide has a molecular weight of 251.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide is sourced from PubChem (CID 102522207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).