2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide

C16H20N2O3 — CID 17442321

IUPAC2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide
SMILESC#CC(CC)(CC)NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C16H20N2O3/c1-4-16(5-2,6-3)18-14(19)11-21-13-10-8-7-9-12(13)15(17)20/h1,7-10H,5-6,11H2,2-3H3,(H2,17,20)(H,18,19)
InChIKeyGDQHJEPIGIZPRP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide

2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide (PubChem CID 17442321) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide
PubChem CID17442321
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide
SMILESC#CC(CC)(CC)NC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C16H20N2O3/c1-4-16(5-2,6-3)18-14(19)11-21-13-10-8-7-9-12(13)15(17)20/h1,7-10H,5-6,11H2,2-3H3,(H2,17,20)(H,18,19)
InChIKeyGDQHJEPIGIZPRP-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.47
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

2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 103604623
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 106484945
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-[2-(cyanoamino)-2-oxoethoxy]benzamide
CID 79194967
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16564461
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 18202386
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
N-(3-ethylpent-1-yn-3-yl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 18202165
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214922
2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]benzamide
CID 43426354
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide (CID 17442321) is 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide is C#CC(CC)(CC)NC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide?
The InChIKey is GDQHJEPIGIZPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-16(5-2,6-3)18-14(19)11-21-13-10-8-7-9-12(13)15(17)20/h1,7-10H,5-6,11H2,2-3H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide?
2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 17442321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).