3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide

C12H15NO3 — CID 104939117

IUPAC3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C12H15NO3/c1-12(2-3-12)7-13-11(16)8-4-9(14)6-10(15)5-8/h4-6,14-15H,2-3,7H2,1H3,(H,13,16)
InChIKeyGEIZRZHQGRLVCZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.63
Rot. Bonds3

About 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide

3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide (PubChem CID 104939117) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
PubChem CID104939117
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C12H15NO3/c1-12(2-3-12)7-13-11(16)8-4-9(14)6-10(15)5-8/h4-6,14-15H,2-3,7H2,1H3,(H,13,16)
InChIKeyGEIZRZHQGRLVCZ-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
CID 104939206
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103722129

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide (CID 104939117) is 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide is CC1(CNC(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide?
The InChIKey is GEIZRZHQGRLVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2-3-12)7-13-11(16)8-4-9(14)6-10(15)5-8/h4-6,14-15H,2-3,7H2,1H3,(H,13,16).
What are the key properties of 3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide?
3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.63, 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-[(1-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 104939117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).