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

C17H21NO2 — CID 60805116

IUPAC2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C17H21NO2/c19-12-4-3-5-14-8-10-16(11-9-14)18-17(20)13-15-6-1-2-7-15/h8-11,15,19H,1-2,4,6-7,12-13H2,(H,18,20)
InChIKeyUKHFXAWBZOJQSN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds4

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

2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide (PubChem CID 60805116) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
PubChem CID60805116
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C17H21NO2/c19-12-4-3-5-14-8-10-16(11-9-14)18-17(20)13-15-6-1-2-7-15/h8-11,15,19H,1-2,4,6-7,12-13H2,(H,18,20)
InChIKeyUKHFXAWBZOJQSN-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
CID 60803544
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803176
2-cyclopentyl-N-[4-(2-hydroxyethoxy)phenyl]acetamide
CID 111116192
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide (CID 60805116) is 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide is O=C(CC1CCCC1)Nc1ccc(C#CCCO)cc1.
What is the InChIKey of 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The InChIKey is UKHFXAWBZOJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-12-4-3-5-14-8-10-16(11-9-14)18-17(20)13-15-6-1-2-7-15/h8-11,15,19H,1-2,4,6-7,12-13H2,(H,18,20).
What are the key properties of 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 60805116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).