4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide

C17H24N2O — CID 65043007

IUPAC4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H24N2O/c1-4-17(5-2,6-3)19-16(20)15-11-9-14(10-12-15)8-7-13-18/h9-12H,4-6,13,18H2,1-3H3,(H,19,20)
InChIKeyOJZDTFMWDYHRGW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.70
Rot. Bonds5

About 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide

4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide (PubChem CID 65043007) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
PubChem CID65043007
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H24N2O/c1-4-17(5-2,6-3)19-16(20)15-11-9-14(10-12-15)8-7-13-18/h9-12H,4-6,13,18H2,1-3H3,(H,19,20)
InChIKeyOJZDTFMWDYHRGW-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.70
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

5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-2-methylbenzamide
CID 65310396
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-[3-(bromomethyl)pentan-3-yl]-4-cyanobenzamide
CID 113275769
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312
4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide
CID 83022536
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
4-(3-aminoprop-1-ynyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106279826
N-(3-ethylpentan-3-yl)-4-(methylamino)benzamide
CID 65042626
N-(4-aminobutyl)-4-(3-aminoprop-1-ynyl)benzamide
CID 172548745
N-[3-(chloromethyl)pentan-3-yl]-4-cyanobenzamide
CID 113273279
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214098

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide (CID 65043007) is 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide is CCC(CC)(CC)NC(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide?
The InChIKey is OJZDTFMWDYHRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-17(5-2,6-3)19-16(20)15-11-9-14(10-12-15)8-7-13-18/h9-12H,4-6,13,18H2,1-3H3,(H,19,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide has a molecular weight of 272.39 g/mol, XLogP of 2.70, 5 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-(3-ethylpentan-3-yl)benzamide is sourced from PubChem (CID 65043007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).