[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate

C26H25ClN2O4 — CID 55307356

IUPAC[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
SMILESCC(NC(=O)COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O4/c1-18(19-12-14-22(27)15-13-19)28-24(30)17-33-25(31)16-23(20-8-4-2-5-9-20)29-26(32)21-10-6-3-7-11-21/h2-15,18,23H,16-17H2,1H3,(H,28,30)(H,29,32)
InChIKeyGAMCPLQZVTVUQH-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.62
Rot. Bonds9

About [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate

[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate (PubChem CID 55307356) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
PubChem CID55307356
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC Name[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
SMILESCC(NC(=O)COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O4/c1-18(19-12-14-22(27)15-13-19)28-24(30)17-33-25(31)16-23(20-8-4-2-5-9-20)29-26(32)21-10-6-3-7-11-21/h2-15,18,23H,16-17H2,1H3,(H,28,30)(H,29,32)
InChIKeyGAMCPLQZVTVUQH-UHFFFAOYSA-N
XLogP4.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218
(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
CID 18277631
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2364494
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321562
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 55509058
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 8809612
[2-(2-methylanilino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 2607431
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
The IUPAC name of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate (CID 55307356) is [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate is CC(NC(=O)COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
The InChIKey is GAMCPLQZVTVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-18(19-12-14-22(27)15-13-19)28-24(30)17-33-25(31)16-23(20-8-4-2-5-9-20)29-26(32)21-10-6-3-7-11-21/h2-15,18,23H,16-17H2,1H3,(H,28,30)(H,29,32).
What are the key properties of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate?
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate has a molecular weight of 464.95 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 55307356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).