2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide

C12H17NO4 — CID 103714343

IUPAC2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO4/c1-12(2,17-3)7-13-11(16)9-5-4-8(14)6-10(9)15/h4-6,14-15H,7H2,1-3H3,(H,13,16)
InChIKeyQROYRIANJFNXLN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.25
Rot. Bonds4

About 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide

2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide (PubChem CID 103714343) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
PubChem CID103714343
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO4/c1-12(2,17-3)7-13-11(16)9-5-4-8(14)6-10(9)15/h4-6,14-15H,7H2,1-3H3,(H,13,16)
InChIKeyQROYRIANJFNXLN-UHFFFAOYSA-N
XLogP1.25
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172176
2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
CID 75484225
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide
CID 107034954
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
2-hydroxy-4-methoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51186865
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
4-[(2-methoxy-2-methylpropyl)carbamoyl]-3-methylbenzenesulfonyl chloride
CID 104761583

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide (CID 103714343) is 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide is COC(C)(C)CNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide?
The InChIKey is QROYRIANJFNXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,17-3)7-13-11(16)9-5-4-8(14)6-10(9)15/h4-6,14-15H,7H2,1-3H3,(H,13,16).
What are the key properties of 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide?
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide has a molecular weight of 239.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 103714343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).