N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide

C11H14N2O4 — CID 107723793

IUPACN-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
SMILESCC(CC(N)=O)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H14N2O4/c1-6(4-10(12)16)13-11(17)8-5-7(14)2-3-9(8)15/h2-3,5-6,14-15H,4H2,1H3,(H2,12,16)(H,13,17)
InChIKeyDJCKNLADHKJZQH-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.09
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide

N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide (PubChem CID 107723793) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
PubChem CID107723793
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
SMILESCC(CC(N)=O)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H14N2O4/c1-6(4-10(12)16)13-11(17)8-5-7(14)2-3-9(8)15/h2-3,5-6,14-15H,4H2,1H3,(H2,12,16)(H,13,17)
InChIKeyDJCKNLADHKJZQH-UHFFFAOYSA-N
XLogP0.09
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
CID 102739283
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
methyl 3-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 113347091
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
CID 107722051
2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107722174
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
CID 107725624
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821
5-amino-2-[(2,5-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107721564
2-[(2,5-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 23191955
N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
CID 107723639
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide (CID 107723793) is N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide is CC(CC(N)=O)NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide?
The InChIKey is DJCKNLADHKJZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(4-10(12)16)13-11(17)8-5-7(14)2-3-9(8)15/h2-3,5-6,14-15H,4H2,1H3,(H2,12,16)(H,13,17).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide?
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide has a molecular weight of 238.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107723793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).