methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate

C25H26N2O3 — CID 69428404

IUPACmethyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
SMILESCOC(=O)CCC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-30-24(28)17-16-23(18-19-8-4-2-5-9-19)27-25(29)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H2,26,27,29)
InChIKeyFSPSKXANDKZVHT-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.04
Rot. Bonds8

About methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate

methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate (PubChem CID 69428404) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
PubChem CID69428404
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Namemethyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
SMILESCOC(=O)CCC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-30-24(28)17-16-23(18-19-8-4-2-5-9-19)27-25(29)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H2,26,27,29)
InChIKeyFSPSKXANDKZVHT-UHFFFAOYSA-N
XLogP5.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate with MolForge

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Related Compounds

4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963
methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
CID 120705550
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate
CID 69430531
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
CID 162451826
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122085643

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate?
The IUPAC name of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate (CID 69428404) is methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate.
What is the SMILES notation for methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate?
The canonical SMILES for methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate is COC(=O)CCC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate?
The InChIKey is FSPSKXANDKZVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-30-24(28)17-16-23(18-19-8-4-2-5-9-19)27-25(29)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H2,26,27,29).
What are the key properties of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate?
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate has a molecular weight of 402.49 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate is sourced from PubChem (CID 69428404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).