[4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid

C11H14N2O4 — CID 87091899

IUPAC[4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid
SMILESO=C(O)NCCCC(=O)N(O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c14-10(7-4-8-12-11(15)16)13(17)9-5-2-1-3-6-9/h1-3,5-6,12,17H,4,7-8H2,(H,15,16)
InChIKeyWMWCGKQIDPSTFJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.46
Rot. Bonds5

About [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid

[4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid (PubChem CID 87091899) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid.

Molecular Properties

Compound Name[4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid
PubChem CID87091899
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid
SMILESO=C(O)NCCCC(=O)N(O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c14-10(7-4-8-12-11(15)16)13(17)9-5-2-1-3-6-9/h1-3,5-6,12,17H,4,7-8H2,(H,15,16)
InChIKeyWMWCGKQIDPSTFJ-UHFFFAOYSA-N
XLogP1.46
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-N-phenylpentanamide
CID 13199036
N'-hydroxy-N-iodo-N'-phenylbutanediamide
CID 174647089
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
8-phenyloctylcarbamic acid
CID 90271205
[5-(dimethylamino)-5-oxopentyl]carbamic acid
CID 87506215
N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
CID 51180502
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea
CID 4299857
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
CID 119881664
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749

Frequently Asked Questions

What is the IUPAC name of [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid?
The IUPAC name of [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid (CID 87091899) is [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid.
What is the SMILES notation for [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid?
The canonical SMILES for [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid is O=C(O)NCCCC(=O)N(O)c1ccccc1.
What is the InChIKey of [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid?
The InChIKey is WMWCGKQIDPSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-10(7-4-8-12-11(15)16)13(17)9-5-2-1-3-6-9/h1-3,5-6,12,17H,4,7-8H2,(H,15,16).
What are the key properties of [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid?
[4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid has a molecular weight of 238.24 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-hydroxyanilino)-4-oxobutyl]carbamic acid is sourced from PubChem (CID 87091899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).