N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide

C17H21NO2 — CID 107181295

IUPACN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C17H21NO2/c1-13-5-4-7-16(13)17(20)18-15-10-8-14(9-11-15)6-2-3-12-19/h8-11,13,16,19H,3-5,7,12H2,1H3,(H,18,20)
InChIKeyFHIKTDAKEPCNPD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds3

About N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide

N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107181295) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107181295
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C17H21NO2/c1-13-5-4-7-16(13)17(20)18-15-10-8-14(9-11-15)6-2-3-12-19/h8-11,13,16,19H,3-5,7,12H2,1H3,(H,18,20)
InChIKeyFHIKTDAKEPCNPD-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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

N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide
CID 61277289
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181380
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide
CID 107181332
2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
CID 107175510
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181275
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181329
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
CID 54922436
N-[4-(4-hydroxybut-1-ynyl)phenyl]-1,4-dioxane-2-carboxamide
CID 62805457

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide (CID 107181295) is N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1ccc(C#CCCO)cc1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is FHIKTDAKEPCNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-5-4-7-16(13)17(20)18-15-10-8-14(9-11-15)6-2-3-12-19/h8-11,13,16,19H,3-5,7,12H2,1H3,(H,18,20).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide?
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107181295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).