ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate

C23H23NO2 — CID 134851956

IUPACethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-2-26-23(25)22(18-19-12-6-3-7-13-19)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3/t22-/m0/s1
InChIKeyMMKGHZHSZQGYQH-QFIPXVFZSA-N
MW345.44 g/mol
LogP5.00
Rot. Bonds7

About ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate

ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate (PubChem CID 134851956) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate
PubChem CID134851956
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Nameethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-2-26-23(25)22(18-19-12-6-3-7-13-19)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3/t22-/m0/s1
InChIKeyMMKGHZHSZQGYQH-QFIPXVFZSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 2337918
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
methyl 4-(2-phenylethyl)-1-(N-propanoylanilino)cyclohexane-1-carboxylate
CID 101898612
methyl (2S)-2-(dibenzylamino)-3-(4-methylphenyl)propanoate
CID 168274365
methyl (2S)-3-(4-aminophenyl)-2-(dibenzylamino)propanoate
CID 168287764
methyl (2S)-2-(dibenzylamino)-3-(4-nitrophenyl)propanoate
CID 168289591
Mls003115200
CID 315229
Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester
CID 117800
[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4148550
Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester
CID 117082
2(5H)Furanone, 3-benzyl-4-(N-(2-(dimethylamino)ethyl)-N-phenylamino)-
CID 54127

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate?
The IUPAC name of ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate (CID 134851956) is ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate.
What is the SMILES notation for ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate?
The canonical SMILES for ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate is CCOC(=O)[C@H](Cc1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate?
The InChIKey is MMKGHZHSZQGYQH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-26-23(25)22(18-19-12-6-3-7-13-19)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3/t22-/m0/s1.
What are the key properties of ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate?
ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate has a molecular weight of 345.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-phenyl-2-(N-phenylanilino)propanoate is sourced from PubChem (CID 134851956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).