4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide

C26H27N2O5P — CID 142091333

IUPAC4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide
SMILESCC(=O)c1ccc(P(c2ccc(C(=O)NCCO)cc2)c2ccc(C(=O)NCCO)cc2)cc1
InChIInChI=1S/C26H27N2O5P/c1-18(31)19-2-8-22(9-3-19)34(23-10-4-20(5-11-23)25(32)27-14-16-29)24-12-6-21(7-13-24)26(33)28-15-17-30/h2-13,29-30H,14-17H2,1H3,(H,27,32)(H,28,33)
InChIKeyDAOXHZCIRZWHRO-UHFFFAOYSA-N
MW478.49 g/mol
LogP1.09
Rot. Bonds10

About 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide

4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 142091333) has the molecular formula C26H27N2O5P and a molecular weight of 478.49 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide
PubChem CID142091333
Molecular FormulaC26H27N2O5P
Molecular Weight478.49 g/mol
Exact Mass478.17
IUPAC Name4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide
SMILESCC(=O)c1ccc(P(c2ccc(C(=O)NCCO)cc2)c2ccc(C(=O)NCCO)cc2)cc1
InChIInChI=1S/C26H27N2O5P/c1-18(31)19-2-8-22(9-3-19)34(23-10-4-20(5-11-23)25(32)27-14-16-29)24-12-6-21(7-13-24)26(33)28-15-17-30/h2-13,29-30H,14-17H2,1H3,(H,27,32)(H,28,33)
InChIKeyDAOXHZCIRZWHRO-UHFFFAOYSA-N
XLogP1.09
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
3-[(4-acetylbenzoyl)amino]propylcarbamic acid
CID 130234189
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
CID 70891086
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 13364699

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide (CID 142091333) is 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide is CC(=O)c1ccc(P(c2ccc(C(=O)NCCO)cc2)c2ccc(C(=O)NCCO)cc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is DAOXHZCIRZWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N2O5P/c1-18(31)19-2-8-22(9-3-19)34(23-10-4-20(5-11-23)25(32)27-14-16-29)24-12-6-21(7-13-24)26(33)28-15-17-30/h2-13,29-30H,14-17H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide?
4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 478.49 g/mol, XLogP of 1.09, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 142091333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).