N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide

C23H21NO4 — CID 58343433

IUPACN-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide
SMILESO=C(NC(C(=O)CO)C(O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c25-15-20(26)21(22(27)18-9-5-2-6-10-18)24-23(28)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,21-22,25,27H,15H2,(H,24,28)
InChIKeyRRRLQVVNVUMJRQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.75
Rot. Bonds7

About N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide

N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide (PubChem CID 58343433) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide
PubChem CID58343433
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide
SMILESO=C(NC(C(=O)CO)C(O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c25-15-20(26)21(22(27)18-9-5-2-6-10-18)24-23(28)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,21-22,25,27H,15H2,(H,24,28)
InChIKeyRRRLQVVNVUMJRQ-UHFFFAOYSA-N
XLogP2.75
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-hydroxyphenyl)benzamide
CID 58343342
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 58342744
4-[4-(2-aminoethyl)phenyl]-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58342514
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(5-phenylpentyl)benzamide
CID 58342840
4-(4-butylphenyl)-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58343538
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide (CID 58343433) is N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide is O=C(NC(C(=O)CO)C(O)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide?
The InChIKey is RRRLQVVNVUMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-15-20(26)21(22(27)18-9-5-2-6-10-18)24-23(28)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14,21-22,25,27H,15H2,(H,24,28).
What are the key properties of N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide?
N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide has a molecular weight of 375.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dihydroxy-3-oxo-1-phenylbutan-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 58343433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).