2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C12H16N2O3 — CID 153307876

IUPAC2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC(C)C)c1O
InChIInChI=1S/C12H16N2O3/c1-7(2)14-12(17)9-6-4-5-8(10(9)15)11(16)13-3/h4-7,15H,1-3H3,(H,13,16)(H,14,17)
InChIKeySVLGYVKSQVQBRP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.89
Rot. Bonds3

About 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide

2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 153307876) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID153307876
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC(C)C)c1O
InChIInChI=1S/C12H16N2O3/c1-7(2)14-12(17)9-6-4-5-8(10(9)15)11(16)13-3/h4-7,15H,1-3H3,(H,13,16)(H,14,17)
InChIKeySVLGYVKSQVQBRP-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 102039466
N,2-di(propan-2-yl)benzamide
CID 14972595
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
3-amino-N-methyl-2-(2-methylpropoxy)benzamide
CID 154814953
1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 67175982
2-amino-3-[2-amino-3-(propan-2-ylcarbamoyl)phenyl]benzoic acid
CID 141245563

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 153307876) is 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NC(C)C)c1O.
What is the InChIKey of 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is SVLGYVKSQVQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)14-12(17)9-6-4-5-8(10(9)15)11(16)13-3/h4-7,15H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 153307876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).