[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate

C24H27NO3 — CID 16564461

IUPAC[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESC#CC(CC)(CC)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-4-24(5-2,6-3)25-22(26)18-28-23(27)17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h1,7-16,21H,5-6,17-18H2,2-3H3,(H,25,26)
InChIKeyOZIDDPLYMAJYJI-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.06
Rot. Bonds9

About [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 16564461) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID16564461
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESC#CC(CC)(CC)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-4-24(5-2,6-3)25-22(26)18-28-23(27)17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h1,7-16,21H,5-6,17-18H2,2-3H3,(H,25,26)
InChIKeyOZIDDPLYMAJYJI-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 18202386
2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethoxy]benzamide
CID 17442321
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265853
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
2-[4-(aminomethyl)phenoxy]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 106484945
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18202231
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 16564461) is [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate is C#CC(CC)(CC)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is OZIDDPLYMAJYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-24(5-2,6-3)25-22(26)18-28-23(27)17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h1,7-16,21H,5-6,17-18H2,2-3H3,(H,25,26).
What are the key properties of [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 377.48 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 16564461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).