N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide

C17H21NO2 — CID 107181267

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C17H21NO2/c1-17(2)11-5-9-14(17)16(20)18-15-10-4-3-7-13(15)8-6-12-19/h3-4,7,10,14,19H,5,9,11-12H2,1-2H3,(H,18,20)
InChIKeyFVGGGCZLGTYTLW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107181267) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107181267
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C17H21NO2/c1-17(2)11-5-9-14(17)16(20)18-15-10-4-3-7-13(15)8-6-12-19/h3-4,7,10,14,19H,5,9,11-12H2,1-2H3,(H,18,20)
InChIKeyFVGGGCZLGTYTLW-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181364
2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107577993
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176029
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60802196
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181388
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107181267) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is FVGGGCZLGTYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2)11-5-9-14(17)16(20)18-15-10-4-3-7-13(15)8-6-12-19/h3-4,7,10,14,19H,5,9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107181267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).