N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide

C17H22N2O — CID 90551805

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide
SMILESCN(C)c1ccc(C#CCNC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-19(2)16-11-9-14(10-12-16)6-5-13-18-17(20)15-7-3-4-8-15/h9-12,15H,3-4,7-8,13H2,1-2H3,(H,18,20)
InChIKeyZEGKHQIIAKBWFH-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.41
Rot. Bonds3

About N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide (PubChem CID 90551805) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide
PubChem CID90551805
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide
SMILESCN(C)c1ccc(C#CCNC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-19(2)16-11-9-14(10-12-16)6-5-13-18-17(20)15-7-3-4-8-15/h9-12,15H,3-4,7-8,13H2,1-2H3,(H,18,20)
InChIKeyZEGKHQIIAKBWFH-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-(cyclopentanecarbonylamino)-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495828
1-tert-butyl-3-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]urea
CID 90554279
tert-butyl N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]carbamate
CID 90552009
4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
CID 90549900
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide
CID 90551907
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 90551963
methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90551779
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]cyclopentanecarboxamide
CID 7496290
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide (CID 90551805) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide is CN(C)c1ccc(C#CCNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide?
The InChIKey is ZEGKHQIIAKBWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)16-11-9-14(10-12-16)6-5-13-18-17(20)15-7-3-4-8-15/h9-12,15H,3-4,7-8,13H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide is sourced from PubChem (CID 90551805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).