3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide

C12H15NO3 — CID 104939206

IUPAC3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cc(O)cc(O)c2)CCC1
InChIInChI=1S/C12H15NO3/c1-12(3-2-4-12)13-11(16)8-5-9(14)7-10(15)6-8/h5-7,14-15H,2-4H2,1H3,(H,13,16)
InChIKeyNBYHUVWPXYCAPQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.77
Rot. Bonds2

About 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide

3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide (PubChem CID 104939206) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
PubChem CID104939206
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cc(O)cc(O)c2)CCC1
InChIInChI=1S/C12H15NO3/c1-12(3-2-4-12)13-11(16)8-5-9(14)7-10(15)6-8/h5-7,14-15H,2-4H2,1H3,(H,13,16)
InChIKeyNBYHUVWPXYCAPQ-UHFFFAOYSA-N
XLogP1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(1-methylcyclobutyl)pyridine-4-carboxamide
CID 115766201
3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 104939117
3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
3,5-difluoro-4-(methylamino)-N-(1-methylcyclopentyl)benzamide
CID 64688484
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
CID 115634311
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2-hydroxy-5-iodo-N-(1-methylcyclobutyl)benzamide
CID 103525844
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
CID 78985061

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide (CID 104939206) is 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide is CC1(NC(=O)c2cc(O)cc(O)c2)CCC1.
What is the InChIKey of 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide?
The InChIKey is NBYHUVWPXYCAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(3-2-4-12)13-11(16)8-5-9(14)7-10(15)6-8/h5-7,14-15H,2-4H2,1H3,(H,13,16).
What are the key properties of 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide?
3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide is sourced from PubChem (CID 104939206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).