N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide

C18H23NO2 — CID 64921078

IUPACN-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(C#CCCO)c2)C1C
InChIInChI=1S/C18H23NO2/c1-13-9-10-17(14(13)2)19-18(21)16-8-5-7-15(12-16)6-3-4-11-20/h5,7-8,12-14,17,20H,4,9-11H2,1-2H3,(H,19,21)
InChIKeyXJDDQOZEHYHJNS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.58
Rot. Bonds3

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

N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 64921078) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
PubChem CID64921078
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(C#CCCO)c2)C1C
InChIInChI=1S/C18H23NO2/c1-13-9-10-17(14(13)2)19-18(21)16-8-5-7-15(12-16)6-3-4-11-20/h5,7-8,12-14,17,20H,4,9-11H2,1-2H3,(H,19,21)
InChIKeyXJDDQOZEHYHJNS-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.58
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-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60817013
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 64921472
3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64915053
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 60920511
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-acetamido-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide
CID 6598954
3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920330
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 106279754
N-hexan-3-yl-3-(4-hydroxybut-1-ynyl)benzamide
CID 62093118
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60817007

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide (CID 64921078) is N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide is CC1CCC(NC(=O)c2cccc(C#CCCO)c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is XJDDQOZEHYHJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-9-10-17(14(13)2)19-18(21)16-8-5-7-15(12-16)6-3-4-11-20/h5,7-8,12-14,17,20H,4,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide?
N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 64921078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).