N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide

C14H19NO3 — CID 103893307

IUPACN-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
SMILESCCC1(CNC(=O)c2cc(O)cc(O)c2)CCC1
InChIInChI=1S/C14H19NO3/c1-2-14(4-3-5-14)9-15-13(18)10-6-11(16)8-12(17)7-10/h6-8,16-17H,2-5,9H2,1H3,(H,15,18)
InChIKeyBOOOIPZTERCJMG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide

N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide (PubChem CID 103893307) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
PubChem CID103893307
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
SMILESCCC1(CNC(=O)c2cc(O)cc(O)c2)CCC1
InChIInChI=1S/C14H19NO3/c1-2-14(4-3-5-14)9-15-13(18)10-6-11(16)8-12(17)7-10/h6-8,16-17H,2-5,9H2,1H3,(H,15,18)
InChIKeyBOOOIPZTERCJMG-UHFFFAOYSA-N
XLogP2.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
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
3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 104939117
2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
CID 114107082
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
N-[(1-ethylcyclobutyl)methyl]-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114109679
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
CID 104939206
5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 104623369

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide (CID 103893307) is N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide is CCC1(CNC(=O)c2cc(O)cc(O)c2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide?
The InChIKey is BOOOIPZTERCJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-14(4-3-5-14)9-15-13(18)10-6-11(16)8-12(17)7-10/h6-8,16-17H,2-5,9H2,1H3,(H,15,18).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide?
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 103893307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).