2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide

C24H33ClNO6P — CID 57328811

IUPAC2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
SMILESCCCCOP(=O)(OCCCC)C(NC(=O)COc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C24H33ClNO6P/c1-4-6-16-31-33(28,32-17-7-5-2)24(19-12-14-20(29-3)15-13-19)26-23(27)18-30-22-11-9-8-10-21(22)25/h8-15,24H,4-7,16-18H2,1-3H3,(H,26,27)
InChIKeyDMWWIJBWSJCCSN-UHFFFAOYSA-N
MW497.96 g/mol
LogP6.37
Rot. Bonds15

About 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide

2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide (PubChem CID 57328811) has the molecular formula C24H33ClNO6P and a molecular weight of 497.96 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
PubChem CID57328811
Molecular FormulaC24H33ClNO6P
Molecular Weight497.96 g/mol
Exact Mass497.17
IUPAC Name2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide
SMILESCCCCOP(=O)(OCCCC)C(NC(=O)COc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C24H33ClNO6P/c1-4-6-16-31-33(28,32-17-7-5-2)24(19-12-14-20(29-3)15-13-19)26-23(27)18-30-22-11-9-8-10-21(22)25/h8-15,24H,4-7,16-18H2,1-3H3,(H,26,27)
InChIKeyDMWWIJBWSJCCSN-UHFFFAOYSA-N
XLogP6.37
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.96
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide (CID 57328811) is 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide is CCCCOP(=O)(OCCCC)C(NC(=O)COc1ccccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is DMWWIJBWSJCCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClNO6P/c1-4-6-16-31-33(28,32-17-7-5-2)24(19-12-14-20(29-3)15-13-19)26-23(27)18-30-22-11-9-8-10-21(22)25/h8-15,24H,4-7,16-18H2,1-3H3,(H,26,27).
What are the key properties of 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide?
2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 497.96 g/mol, XLogP of 6.37, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[dibutoxyphosphoryl-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 57328811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).