[2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate

C25H25NO3 — CID 3253072

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate
SMILESCC(NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-19(20-11-5-2-6-12-20)26-24(27)18-29-25(28)17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,26,27)
InChIKeyAEVGVYCDNMQEQY-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.63
Rot. Bonds8

About [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate

[2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate (PubChem CID 3253072) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate
PubChem CID3253072
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate
SMILESCC(NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-19(20-11-5-2-6-12-20)26-24(27)18-29-25(28)17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,26,27)
InChIKeyAEVGVYCDNMQEQY-UHFFFAOYSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Npc171139
CID 9832120
Aurantiamide Acetate
CID 10026486
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
N-benzoyl-phenylalanine methyl ester
CID 569674
(S)-ethyl 3-(4,4-difluorocyclohexanecarboxamido)-3-phenylpropanoate
CID 10131981
[2-(Benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547368
2,N-Dibenzyl-malonamic acid ethyl ester
CID 2836855
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-hydroxyadamantane-1-carboxylate
CID 4844996
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 16285319
N-(diphenylmethyl)-2-methoxyacetamide
CID 798780

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate (CID 3253072) is [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate is CC(NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate?
The InChIKey is AEVGVYCDNMQEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-19(20-11-5-2-6-12-20)26-24(27)18-29-25(28)17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,26,27).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate has a molecular weight of 387.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 3253072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).