3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide

C13H19NO3 — CID 91649720

IUPAC3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H19NO3/c1-8(2)4-9(3)14-13(17)10-5-11(15)7-12(16)6-10/h5-9,15-16H,4H2,1-3H3,(H,14,17)
InChIKeyAKBCVYGAELOFNR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.26
Rot. Bonds4

About 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide

3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide (PubChem CID 91649720) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
PubChem CID91649720
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H19NO3/c1-8(2)4-9(3)14-13(17)10-5-11(15)7-12(16)6-10/h5-9,15-16H,4H2,1-3H3,(H,14,17)
InChIKeyAKBCVYGAELOFNR-UHFFFAOYSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104939035
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
CID 107706110
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
N-(4-methylpentan-2-yl)-3,5-dinitrobenzamide
CID 86117687
3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
CID 103891766
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide (CID 91649720) is 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is AKBCVYGAELOFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)4-9(3)14-13(17)10-5-11(15)7-12(16)6-10/h5-9,15-16H,4H2,1-3H3,(H,14,17).
What are the key properties of 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide?
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 91649720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).