[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate

C25H25NO3 — CID 2099230

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCCCc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(26-17-7-10-20-8-3-1-4-9-20)19-29-25(28)18-21-13-15-23(16-14-21)22-11-5-2-6-12-22/h1-6,8-9,11-16H,7,10,17-19H2,(H,26,27)
InChIKeyLBKCWLROECSDQW-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.19
Rot. Bonds9

About [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 2099230) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate
PubChem CID2099230
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCCCc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(26-17-7-10-20-8-3-1-4-9-20)19-29-25(28)18-21-13-15-23(16-14-21)22-11-5-2-6-12-22/h1-6,8-9,11-16H,7,10,17-19H2,(H,26,27)
InChIKeyLBKCWLROECSDQW-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814
N-[3-(3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516624
[2-oxo-2-[3-[4-[4-[4-(phenylmethoxycarbonylamino)butyl]phenyl]phenyl]propylamino]ethyl] acetate
CID 177101921
[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2570012
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-bromobenzoate
CID 2624058

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate (CID 2099230) is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate is O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is LBKCWLROECSDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-24(26-17-7-10-20-8-3-1-4-9-20)19-29-25(28)18-21-13-15-23(16-14-21)22-11-5-2-6-12-22/h1-6,8-9,11-16H,7,10,17-19H2,(H,26,27).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 387.48 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 2099230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).