4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide

C17H22N2O — CID 79872322

IUPAC4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H22N2O/c1-17(2)11-3-6-15(17)19-16(20)14-9-7-13(8-10-14)5-4-12-18/h7-10,15H,3,6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyXXEUSBVRSKOFSO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.31
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide

4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide (PubChem CID 79872322) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide
PubChem CID79872322
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H22N2O/c1-17(2)11-3-6-15(17)19-16(20)14-9-7-13(8-10-14)5-4-12-18/h7-10,15H,3,6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyXXEUSBVRSKOFSO-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.31
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-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
CID 79871842
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)-5-fluorobenzamide
CID 79871456
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
3-[4-[(2,2-dimethylcyclopentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 79870096
N-(2,2-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 79870832
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
4-(3-aminoprop-1-ynyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80721102
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide (CID 79872322) is 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide is CC1(C)CCCC1NC(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide?
The InChIKey is XXEUSBVRSKOFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2)11-3-6-15(17)19-16(20)14-9-7-13(8-10-14)5-4-12-18/h7-10,15H,3,6,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide has a molecular weight of 270.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 79872322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).