N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide

C18H23NO2 — CID 81459196

IUPACN-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(C#CCO)c1)C1CCCC1
InChIInChI=1S/C18H23NO2/c1-3-19(17-8-4-5-9-17)18(21)16-11-10-14(2)15(13-16)7-6-12-20/h10-11,13,17,20H,3-5,8-9,12H2,1-2H3
InChIKeyYTGBOIIFRKVHTK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds3

About N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide

N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide (PubChem CID 81459196) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
PubChem CID81459196
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(C#CCO)c1)C1CCCC1
InChIInChI=1S/C18H23NO2/c1-3-19(17-8-4-5-9-17)18(21)16-11-10-14(2)15(13-16)7-6-12-20/h10-11,13,17,20H,3-5,8-9,12H2,1-2H3
InChIKeyYTGBOIIFRKVHTK-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

N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311329
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-N,4-dimethylbenzamide
CID 81475776
N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076880
[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 81476762
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]methanone
CID 83220481
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-4-methylbenzamide
CID 81476144
3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide
CID 81476301
N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997969
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide (CID 81459196) is N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide is CCN(C(=O)c1ccc(C)c(C#CCO)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
The InChIKey is YTGBOIIFRKVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-19(17-8-4-5-9-17)18(21)16-11-10-14(2)15(13-16)7-6-12-20/h10-11,13,17,20H,3-5,8-9,12H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide?
N-cyclopentyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-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-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide is sourced from PubChem (CID 81459196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).