N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide

C12H16N2O4 — CID 113245854

IUPACN-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(C)CC(N)=O)c1
InChIInChI=1S/C12H16N2O4/c1-7(5-11(13)16)14-12(17)9-6-8(18-2)3-4-10(9)15/h3-4,6-7,15H,5H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyXCKJEHAWZLHSTC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.39
Rot. Bonds5

About N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide

N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 113245854) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID113245854
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(C)CC(N)=O)c1
InChIInChI=1S/C12H16N2O4/c1-7(5-11(13)16)14-12(17)9-6-8(18-2)3-4-10(9)15/h3-4,6-7,15H,5H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyXCKJEHAWZLHSTC-UHFFFAOYSA-N
XLogP0.39
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
N-(4-amino-4-oxobutan-2-yl)-2-bromo-5-methoxybenzamide
CID 115649764
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 76934560
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
methyl 3-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 113347091
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 77039292
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide (CID 113245854) is N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC(C)CC(N)=O)c1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is XCKJEHAWZLHSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(5-11(13)16)14-12(17)9-6-8(18-2)3-4-10(9)15/h3-4,6-7,15H,5H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide?
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 252.27 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 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-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 113245854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).