2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide

C16H20N2O — CID 55171481

IUPAC2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C16H20N2O/c1-12-6-4-10-15(12)18-16(19)14-9-3-2-7-13(14)8-5-11-17/h2-3,7,9,12,15H,4,6,10-11,17H2,1H3,(H,18,19)
InChIKeyARVHFFYFNYGUSB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide

2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide (PubChem CID 55171481) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
PubChem CID55171481
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C16H20N2O/c1-12-6-4-10-15(12)18-16(19)14-9-3-2-7-13(14)8-5-11-17/h2-3,7,9,12,15H,4,6,10-11,17H2,1H3,(H,18,19)
InChIKeyARVHFFYFNYGUSB-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.92
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

2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
CID 79871842
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 81112587
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
3-(3-aminoprop-1-ynyl)-N-(2,4-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66472652

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide (CID 55171481) is 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide is CC1CCCC1NC(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The InChIKey is ARVHFFYFNYGUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-6-4-10-15(12)18-16(19)14-9-3-2-7-13(14)8-5-11-17/h2-3,7,9,12,15H,4,6,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide has a molecular weight of 256.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide is sourced from PubChem (CID 55171481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).