N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide

C16H23NO2 — CID 107676725

IUPACN-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide
SMILESCCC1CCC(NC(=O)c2ccc(O)c(C)c2)C1C
InChIInChI=1S/C16H23NO2/c1-4-12-5-7-14(11(12)3)17-16(19)13-6-8-15(18)10(2)9-13/h6,8-9,11-12,14,18H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyXGUFCBWVKLATNT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.26
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide

N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107676725) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide
PubChem CID107676725
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide
SMILESCCC1CCC(NC(=O)c2ccc(O)c(C)c2)C1C
InChIInChI=1S/C16H23NO2/c1-4-12-5-7-14(11(12)3)17-16(19)13-6-8-15(18)10(2)9-13/h6,8-9,11-12,14,18H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyXGUFCBWVKLATNT-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475
N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999041
N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615105
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272
N-(2-aminocycloheptyl)-4-hydroxy-3-methylbenzamide
CID 107672030
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3-methylbenzamide
CID 64923284
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476
3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64915053
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide (CID 107676725) is N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide is CCC1CCC(NC(=O)c2ccc(O)c(C)c2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is XGUFCBWVKLATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-12-5-7-14(11(12)3)17-16(19)13-6-8-15(18)10(2)9-13/h6,8-9,11-12,14,18H,4-5,7H2,1-3H3,(H,17,19).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide?
N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107676725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).