N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide

C18H23NO2 — CID 60920511

IUPACN-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(NCCC1CCCC1)c1cccc(C#CCCO)c1
InChIInChI=1S/C18H23NO2/c20-13-4-3-8-16-9-5-10-17(14-16)18(21)19-12-11-15-6-1-2-7-15/h5,9-10,14-15,20H,1-2,4,6-7,11-13H2,(H,19,21)
InChIKeyDEXPAGNFTVDRJT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds5

About N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide

N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 60920511) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide
PubChem CID60920511
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(NCCC1CCCC1)c1cccc(C#CCCO)c1
InChIInChI=1S/C18H23NO2/c20-13-4-3-8-16-9-5-10-17(14-16)18(21)19-12-11-15-6-1-2-7-15/h5,9-10,14-15,20H,1-2,4,6-7,11-13H2,(H,19,21)
InChIKeyDEXPAGNFTVDRJT-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60817013
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 106279754
N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 64921078
3-(4-hydroxybut-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231169
N-(2-cyclopentylethyl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977338
3-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63958188
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
(3-ethylpiperidin-1-yl)-[3-(4-hydroxybut-1-ynyl)phenyl]methanone
CID 60815760
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
N-hexan-3-yl-3-(4-hydroxybut-1-ynyl)benzamide
CID 62093118

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide (CID 60920511) is N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide is O=C(NCCC1CCCC1)c1cccc(C#CCCO)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is DEXPAGNFTVDRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-13-4-3-8-16-9-5-10-17(14-16)18(21)19-12-11-15-6-1-2-7-15/h5,9-10,14-15,20H,1-2,4,6-7,11-13H2,(H,19,21).
What are the key properties of N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide?
N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 60920511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).