N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide

C18H23NO2 — CID 65311329

IUPACN-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
SMILESCCN(C(=O)c1cc(C#CCO)ccc1C)C1CCCC1
InChIInChI=1S/C18H23NO2/c1-3-19(16-8-4-5-9-16)18(21)17-13-15(7-6-12-20)11-10-14(17)2/h10-11,13,16,20H,3-5,8-9,12H2,1-2H3
InChIKeyYXHIOZDPWGVCGA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds3

About N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide

N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide (PubChem CID 65311329) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
PubChem CID65311329
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
SMILESCCN(C(=O)c1cc(C#CCO)ccc1C)C1CCCC1
InChIInChI=1S/C18H23NO2/c1-3-19(16-8-4-5-9-16)18(21)17-13-15(7-6-12-20)11-10-14(17)2/h10-11,13,16,20H,3-5,8-9,12H2,1-2H3
InChIKeyYXHIOZDPWGVCGA-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102868159
N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81459196
N-ethyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65310712
5-bromo-N-cyclopentyl-N-ethyl-2-methylbenzamide
CID 65306938
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
5-(3-hydroxyprop-1-ynyl)-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82749477
(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 65311090
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(2-methylazepan-1-yl)methanone
CID 65310871
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 65310862
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbenzamide
CID 65310599
(3-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 65310706

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide (CID 65311329) is N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide is CCN(C(=O)c1cc(C#CCO)ccc1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
The InChIKey is YXHIOZDPWGVCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-19(16-8-4-5-9-16)18(21)17-13-15(7-6-12-20)11-10-14(17)2/h10-11,13,16,20H,3-5,8-9,12H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide?
N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide has a molecular weight of 285.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide is sourced from PubChem (CID 65311329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).