[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

C25H24N2O4 — CID 8821196

IUPAC[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-12-14-21(15-13-18)26-23(28)17-31-25(30)22(16-19-8-4-2-5-9-19)27-24(29)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m1/s1
InChIKeyRHYZPNZKBYDGRV-JOCHJYFZSA-N
MW416.48 g/mol
LogP3.52
Rot. Bonds8

About [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (PubChem CID 8821196) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
PubChem CID8821196
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-12-14-21(15-13-18)26-23(28)17-31-25(30)22(16-19-8-4-2-5-9-19)27-24(29)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m1/s1
InChIKeyRHYZPNZKBYDGRV-JOCHJYFZSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Npc171139
CID 9832120
Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
CID 9840971
Aurantiamide Acetate
CID 10026486
ethyl (2E,4S)-4-[(2S)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]-3-phenylpropanamido]-5-phenylpent-2-enoate
CID 11555658
L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester
CID 75413
(+/-)-2-(2-Cinnamamidobenzamido)-3-phenylpropanoic acid
CID 11200806
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4344299
[2-[4-(Dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 4795120
[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654095

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (CID 8821196) is [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate is Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The InChIKey is RHYZPNZKBYDGRV-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18-12-14-21(15-13-18)26-23(28)17-31-25(30)22(16-19-8-4-2-5-9-19)27-24(29)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m1/s1.
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate has a molecular weight of 416.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 8821196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).