methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate

C24H23NO4 — CID 12990920

IUPACmethyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-23(26)22(16-18-8-4-2-5-9-18)25-24(27)29-17-19-12-14-21(15-13-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyCYFUOLMXZBSYST-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.36
Rot. Bonds7

About methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate

methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate (PubChem CID 12990920) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
PubChem CID12990920
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namemethyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-23(26)22(16-18-8-4-2-5-9-18)25-24(27)29-17-19-12-14-21(15-13-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyCYFUOLMXZBSYST-UHFFFAOYSA-N
XLogP4.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate 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

methyl 3-[4-(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 67401665
methyl 3-(4-ethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 59585305
methyl 3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 118308465
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
methyl (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 92643296
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
methyl 3-(4-methoxyphenyl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 141457843
methyl 3-(3,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 18736717
benzyl (3R)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 26791006
methyl (2S)-3-(4-butoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 68523256
benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate (CID 12990920) is methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate?
The InChIKey is CYFUOLMXZBSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-23(26)22(16-18-8-4-2-5-9-18)25-24(27)29-17-19-12-14-21(15-13-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,27).
What are the key properties of methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate?
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate has a molecular weight of 389.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate is sourced from PubChem (CID 12990920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).