methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate

C26H25NO4 — CID 9333199

IUPACmethyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-31-26(30)18-23(21-10-6-3-7-11-21)27-25(29)17-16-24(28)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyUPKAIOFVFAQTKD-HSZRJFAPSA-N
MW415.49 g/mol
LogP4.74
Rot. Bonds9

About methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate

methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate (PubChem CID 9333199) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
PubChem CID9333199
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Namemethyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H25NO4/c1-31-26(30)18-23(21-10-6-3-7-11-21)27-25(29)17-16-24(28)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyUPKAIOFVFAQTKD-HSZRJFAPSA-N
XLogP4.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
methyl (3R)-3-(3-acetamidopropanoylamino)-3-phenylpropanoate
CID 101427292
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
methyl 3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoate
CID 119695221
methyl (3S)-3-[(2-cyanoacetyl)amino]-3-phenylpropanoate
CID 96917611
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
methyl 3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-(4-methylphenyl)propanoate
CID 55914760
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
CID 110001369

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate (CID 9333199) is methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate is COC(=O)C[C@@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate?
The InChIKey is UPKAIOFVFAQTKD-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25NO4/c1-31-26(30)18-23(21-10-6-3-7-11-21)27-25(29)17-16-24(28)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,27,29)/t23-/m1/s1.
What are the key properties of methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate?
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate has a molecular weight of 415.49 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 9333199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).