2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

C17H21NO2 — CID 60803962

IUPAC2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C17H21NO2/c19-12-4-7-14-8-10-16(11-9-14)18-17(20)13-15-5-2-1-3-6-15/h8-11,15,19H,1-3,5-6,12-13H2,(H,18,20)
InChIKeyNIAJXZHBQMTVCP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (PubChem CID 60803962) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
PubChem CID60803962
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C17H21NO2/c19-12-4-7-14-8-10-16(11-9-14)18-17(20)13-15-5-2-1-3-6-15/h8-11,15,19H,1-3,5-6,12-13H2,(H,18,20)
InChIKeyNIAJXZHBQMTVCP-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
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

2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222
2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 65434302
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclopentyl-N-[4-(2-hydroxyethoxy)phenyl]acetamide
CID 111116192
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557419
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (CID 60803962) is 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is O=C(CC1CCCCC1)Nc1ccc(C#CCO)cc1.
What is the InChIKey of 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The InChIKey is NIAJXZHBQMTVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-12-4-7-14-8-10-16(11-9-14)18-17(20)13-15-5-2-1-3-6-15/h8-11,15,19H,1-3,5-6,12-13H2,(H,18,20).
What are the key properties of 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 60803962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).