N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide

C27H28N2O4 — CID 147521395

IUPACN-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)Cc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C27H28N2O4/c30-23-12-10-20(11-13-23)18-24(28-27(32)21-6-2-1-3-7-21)26(31)19-22-8-4-5-9-25(22)29-14-16-33-17-15-29/h1-13,24,30H,14-19H2,(H,28,32)
InChIKeyFLFSJFLMOVZGEM-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.38
Rot. Bonds8

About N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide

N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide (PubChem CID 147521395) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide
PubChem CID147521395
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)Cc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C27H28N2O4/c30-23-12-10-20(11-13-23)18-24(28-27(32)21-6-2-1-3-7-21)26(31)19-22-8-4-5-9-25(22)29-14-16-33-17-15-29/h1-13,24,30H,14-19H2,(H,28,32)
InChIKeyFLFSJFLMOVZGEM-UHFFFAOYSA-N
XLogP3.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[(2-fluorobenzoyl)amino]-4-(2-morpholin-4-ylphenyl)-3-oxobutyl]phenyl] acetate
CID 158287580
N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296373
N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 148820578
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide
CID 157198147
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337
N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide
CID 157146271
N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 158168570
4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 17438048
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853
N-[1-(5-fluoro-2-piperazin-1-ylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 118296484
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide (CID 147521395) is N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide is O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1ccccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide?
The InChIKey is FLFSJFLMOVZGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c30-23-12-10-20(11-13-23)18-24(28-27(32)21-6-2-1-3-7-21)26(31)19-22-8-4-5-9-25(22)29-14-16-33-17-15-29/h1-13,24,30H,14-19H2,(H,28,32).
What are the key properties of N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide?
N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide is sourced from PubChem (CID 147521395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).