[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

C25H24N2O4 — CID 4148550

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESCN(C(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-27(21-15-9-4-10-16-21)23(28)18-31-25(30)22(17-19-11-5-2-6-12-19)26-24(29)20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3,(H,26,29)
InChIKeyRHLLWBSIPNZJAO-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.23
Rot. Bonds8

About [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (PubChem CID 4148550) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
PubChem CID4148550
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESCN(C(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-27(21-15-9-4-10-16-21)23(28)18-31-25(30)22(17-19-11-5-2-6-12-19)26-24(29)20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3,(H,26,29)
InChIKeyRHLLWBSIPNZJAO-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42968173
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 9491599
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (CID 4148550) is [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is CN(C(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The InChIKey is RHLLWBSIPNZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-27(21-15-9-4-10-16-21)23(28)18-31-25(30)22(17-19-11-5-2-6-12-19)26-24(29)20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3,(H,26,29).
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate has a molecular weight of 416.48 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 4148550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).