N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide

C12H16N2O3 — CID 115664821

IUPACN-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)CC(N)=O)c1O
InChIInChI=1S/C12H16N2O3/c1-7-4-3-5-9(11(7)16)12(17)14-8(2)6-10(13)15/h3-5,8,16H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyDDVRNYZSRRLPFK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.69
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide

N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide (PubChem CID 115664821) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
PubChem CID115664821
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)CC(N)=O)c1O
InChIInChI=1S/C12H16N2O3/c1-7-4-3-5-9(11(7)16)12(17)14-8(2)6-10(13)15/h3-5,8,16H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyDDVRNYZSRRLPFK-UHFFFAOYSA-N
XLogP0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dimethylbenzamide
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N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
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N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
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4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide (CID 115664821) is N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC(C)CC(N)=O)c1O.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide?
The InChIKey is DDVRNYZSRRLPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-4-3-5-9(11(7)16)12(17)14-8(2)6-10(13)15/h3-5,8,16H,6H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide?
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 115664821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).