2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide

C18H23NO2 — CID 60803176

IUPAC2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccccc1C#CCCO
InChIInChI=1S/C18H23NO2/c20-13-7-6-11-16-10-4-5-12-17(16)19-18(21)14-15-8-2-1-3-9-15/h4-5,10,12,15,20H,1-3,7-9,13-14H2,(H,19,21)
InChIKeyNTITYSJQTWXBOZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds4

About 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide

2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide (PubChem CID 60803176) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
PubChem CID60803176
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccccc1C#CCCO
InChIInChI=1S/C18H23NO2/c20-13-7-6-11-16-10-4-5-12-17(16)19-18(21)14-15-8-2-1-3-9-15/h4-5,10,12,15,20H,1-3,7-9,13-14H2,(H,19,21)
InChIKeyNTITYSJQTWXBOZ-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
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-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 81263564
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
CID 60803544
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide (CID 60803176) is 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide is O=C(CC1CCCCC1)Nc1ccccc1C#CCCO.
What is the InChIKey of 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The InChIKey is NTITYSJQTWXBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-13-7-6-11-16-10-4-5-12-17(16)19-18(21)14-15-8-2-1-3-9-15/h4-5,10,12,15,20H,1-3,7-9,13-14H2,(H,19,21).
What are the key properties of 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 60803176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).