N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide

C17H21NO2 — CID 107181332

IUPACN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2C)cc1C#CCO
InChIInChI=1S/C17H21NO2/c1-12-8-9-15(11-14(12)6-4-10-19)18-17(20)16-7-3-5-13(16)2/h8-9,11,13,16,19H,3,5,7,10H2,1-2H3,(H,18,20)
InChIKeyRWHWVHNSBBNYQY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.71
Rot. Bonds2

About N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide

N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107181332) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107181332
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2C)cc1C#CCO
InChIInChI=1S/C17H21NO2/c1-12-8-9-15(11-14(12)6-4-10-19)18-17(20)16-7-3-5-13(16)2/h8-9,11,13,16,19H,3,5,7,10H2,1-2H3,(H,18,20)
InChIKeyRWHWVHNSBBNYQY-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 63333986
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181329
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181275
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-3-carboxamide
CID 63333873
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181380
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 63334167
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cycloheptanecarboxamide
CID 104780496
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-5-methyloxolane-3-carboxamide
CID 114826630
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide (CID 107181332) is N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC2C)cc1C#CCO.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is RWHWVHNSBBNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-8-9-15(11-14(12)6-4-10-19)18-17(20)16-7-3-5-13(16)2/h8-9,11,13,16,19H,3,5,7,10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107181332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).