[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C26H25ClN2O4 — CID 55306218

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCC(NC(=O)COC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25ClN2O4/c1-18(19-10-4-2-5-11-19)28-24(30)17-33-25(31)16-23(20-12-6-3-7-13-20)29-26(32)21-14-8-9-15-22(21)27/h2-15,18,23H,16-17H2,1H3,(H,28,30)(H,29,32)
InChIKeyCUGJEQUNOJMVCC-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.62
Rot. Bonds9

About [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 55306218) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID55306218
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCC(NC(=O)COC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25ClN2O4/c1-18(19-10-4-2-5-11-19)28-24(30)17-33-25(31)16-23(20-12-6-3-7-13-20)29-26(32)21-14-8-9-15-22(21)27/h2-15,18,23H,16-17H2,1H3,(H,28,30)(H,29,32)
InChIKeyCUGJEQUNOJMVCC-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

Analyze [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 55307356
[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2519734
benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
[2-(butylcarbamoylamino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55418410
2-chloro-N-[(1R)-3-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41134747
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42160727
[2-(3-fluoroanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2364120
cyanomethyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42967927
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198264
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198266
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 55306218) is [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is CC(NC(=O)COC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is CUGJEQUNOJMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-18(19-10-4-2-5-11-19)28-24(30)17-33-25(31)16-23(20-12-6-3-7-13-20)29-26(32)21-14-8-9-15-22(21)27/h2-15,18,23H,16-17H2,1H3,(H,28,30)(H,29,32).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-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-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 55306218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).