2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid

C27H27NO4 — CID 22992514

IUPAC2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)CC(CCCc3ccccc3)C(=O)O)cc2)cc1
InChIInChI=1S/C27H27NO4/c1-19-10-12-22(13-11-19)26(30)28-24-16-14-21(15-17-24)25(29)18-23(27(31)32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-17,23H,5,8-9,18H2,1H3,(H,28,30)(H,31,32)
InChIKeyFINISNXCOUDHDU-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.54
Rot. Bonds10

About 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid

2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid (PubChem CID 22992514) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
PubChem CID22992514
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)CC(CCCc3ccccc3)C(=O)O)cc2)cc1
InChIInChI=1S/C27H27NO4/c1-19-10-12-22(13-11-19)26(30)28-24-16-14-21(15-17-24)25(29)18-23(27(31)32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-17,23H,5,8-9,18H2,1H3,(H,28,30)(H,31,32)
InChIKeyFINISNXCOUDHDU-UHFFFAOYSA-N
XLogP5.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-(2-methylpropanoylamino)phenyl]phenyl]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 143314276
4-[4-[4-[(4-fluorobenzoyl)amino]phenyl]-2-methylphenyl]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 143314286
2-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-5-phenylpentanoic acid
CID 15859124
2-[2-[4-[4-[(4-methylphenyl)carbamoylamino]phenyl]phenyl]-2-oxoethyl]pentanoic acid
CID 143314043
N-phenyl-4-(4-phenylbutanoyl)benzamide
CID 123756436
methyl 2-[2-(4-bromophenyl)-2-oxoethyl]-5-phenylpentanoate
CID 54453895
4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
CID 123843128
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
(2R)-4-[4-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]phenyl]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 143314456
4-[4-[6-[(4-ethylphenyl)carbamoylamino]-2-methyl-3-pyridinyl]phenyl]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 143314394
4-[4-[4-[(3,4-difluorophenyl)carbamoylamino]-2-methylphenyl]phenyl]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 143314384

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
The IUPAC name of 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid (CID 22992514) is 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
The canonical SMILES for 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)CC(CCCc3ccccc3)C(=O)O)cc2)cc1.
What is the InChIKey of 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
The InChIKey is FINISNXCOUDHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-19-10-12-22(13-11-19)26(30)28-24-16-14-21(15-17-24)25(29)18-23(27(31)32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-17,23H,5,8-9,18H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid?
2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid has a molecular weight of 429.52 g/mol, XLogP of 5.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxoethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 22992514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).