3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide

C17H22N2O2 — CID 114550720

IUPAC3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC(C)C2)cc1C#CCN
InChIInChI=1S/C17H22N2O2/c1-12-5-7-15(10-12)19-17(20)14-6-8-16(21-2)13(11-14)4-3-9-18/h6,8,11-12,15H,5,7,9-10,18H2,1-2H3,(H,19,20)
InChIKeyBQGYAPVVZBFEEA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.92
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide

3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide (PubChem CID 114550720) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide
PubChem CID114550720
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC(C)C2)cc1C#CCN
InChIInChI=1S/C17H22N2O2/c1-12-5-7-15(10-12)19-17(20)14-6-8-16(21-2)13(11-14)4-3-9-18/h6,8,11-12,15H,5,7,9-10,18H2,1-2H3,(H,19,20)
InChIKeyBQGYAPVVZBFEEA-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-4-methoxy-N',N'-dimethylbenzohydrazide
CID 83023217
3-(3-aminoprop-1-ynyl)-N-(2,2-dimethylpropyl)-4-methoxybenzamide
CID 61168070
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
3-(3-aminoprop-1-ynyl)-4-methoxy-N-piperidin-1-ylbenzamide
CID 83015977
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550641
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550639
3-(3-aminoprop-1-ynyl)-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107524869
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 63244337
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-4-methoxy-N-methylbenzamide
CID 63699329
3-(3-aminoprop-1-ynyl)-4-methoxy-N-methyl-N-propylbenzamide
CID 54910570
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide (CID 114550720) is 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide is COc1ccc(C(=O)NC2CCC(C)C2)cc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide?
The InChIKey is BQGYAPVVZBFEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-7-15(10-12)19-17(20)14-6-8-16(21-2)13(11-14)4-3-9-18/h6,8,11-12,15H,5,7,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide?
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 114550720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).