N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide

C17H21NO2 — CID 81111346

IUPACN-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
SMILESCc1ccc(C#CCO)c(C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C17H21NO2/c1-13-9-10-14(6-5-11-19)16(12-13)17(20)18(2)15-7-3-4-8-15/h9-10,12,15,19H,3-4,7-8,11H2,1-2H3
InChIKeyGEVQNLQLGGLGFB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.35
Rot. Bonds2

About N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide

N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide (PubChem CID 81111346) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
PubChem CID81111346
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
SMILESCc1ccc(C#CCO)c(C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C17H21NO2/c1-13-9-10-14(6-5-11-19)16(12-13)17(20)18(2)15-7-3-4-8-15/h9-10,12,15,19H,3-4,7-8,11H2,1-2H3
InChIKeyGEVQNLQLGGLGFB-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81111948
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
N,N-diethyl-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112466
methyl 2-[[2-(3-hydroxyprop-1-ynyl)-5-methylbenzoyl]-methylamino]acetate
CID 81112947
N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111235
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 81112587
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748685
N-cycloheptyl-2-hydroxy-N,5-dimethylbenzamide
CID 43409240
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 81111695
N-[3-(dimethylamino)propyl]-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 81111247
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide?
The IUPAC name of N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide (CID 81111346) is N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide.
What is the SMILES notation for N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide?
The canonical SMILES for N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide is Cc1ccc(C#CCO)c(C(=O)N(C)C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide?
The InChIKey is GEVQNLQLGGLGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-9-10-14(6-5-11-19)16(12-13)17(20)18(2)15-7-3-4-8-15/h9-10,12,15,19H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide?
N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 81111346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).