3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide

C12H17NO3 — CID 103891766

IUPAC3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H17NO3/c1-7(2)8(3)13-12(16)9-4-10(14)6-11(15)5-9/h4-8,14-15H,1-3H3,(H,13,16)
InChIKeyQNRWOPICDIBUKZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.87
Rot. Bonds3

About 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide

3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide (PubChem CID 103891766) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
PubChem CID103891766
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H17NO3/c1-7(2)8(3)13-12(16)9-4-10(14)6-11(15)5-9/h4-8,14-15H,1-3H3,(H,13,16)
InChIKeyQNRWOPICDIBUKZ-UHFFFAOYSA-N
XLogP1.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
methyl 2-[(3,5-dihydroxybenzoyl)amino]-3-methylbutanoate
CID 113347317
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104939035
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
CID 107706110
2-[(3,5-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107702327
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide (CID 103891766) is 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is QNRWOPICDIBUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7(2)8(3)13-12(16)9-4-10(14)6-11(15)5-9/h4-8,14-15H,1-3H3,(H,13,16).
What are the key properties of 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide?
3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 223.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 103891766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).