(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate

C23H20NO3- — CID 7189553

IUPAC(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate
SMILESO=C([O-])C[C@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(15-20(16-23(26)27)18-9-5-2-6-10-18)24-21-13-11-19(12-14-21)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,24,25)(H,26,27)/p-1/t20-/m0/s1
InChIKeyUBQGNGFDBFSKDU-FQEVSTJZSA-M
MW358.42 g/mol
LogP3.61
Rot. Bonds7

About (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate

(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate (PubChem CID 7189553) has the molecular formula C23H20NO3- and a molecular weight of 358.42 g/mol. Its IUPAC name is (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate.

Molecular Properties

Compound Name(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate
PubChem CID7189553
Molecular FormulaC23H20NO3-
Molecular Weight358.42 g/mol
Exact Mass358.14
IUPAC Name(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate
SMILESO=C([O-])C[C@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(15-20(16-23(26)27)18-9-5-2-6-10-18)24-21-13-11-19(12-14-21)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,24,25)(H,26,27)/p-1/t20-/m0/s1
InChIKeyUBQGNGFDBFSKDU-FQEVSTJZSA-M
XLogP3.61
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-4-carboxylato-3-phenylbutanoyl]amino]benzoate
CID 7381701
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
2-[[(3S)-4-carboxylato-3-phenylbutanoyl]amino]benzoate
CID 7127508
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
(3S)-5-ethoxy-5-oxo-3-phenylpentanoate
CID 71354440
5-ethoxy-5-oxo-3-phenylpentanoate
CID 71341671

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate?
The IUPAC name of (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate (CID 7189553) is (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate.
What is the SMILES notation for (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate?
The canonical SMILES for (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate is O=C([O-])C[C@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate?
The InChIKey is UBQGNGFDBFSKDU-FQEVSTJZSA-M. The full InChI is InChI=1S/C23H21NO3/c25-22(15-20(16-23(26)27)18-9-5-2-6-10-18)24-21-13-11-19(12-14-21)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,24,25)(H,26,27)/p-1/t20-/m0/s1.
What are the key properties of (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate?
(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate has a molecular weight of 358.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate is sourced from PubChem (CID 7189553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).