N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide

C19H24NO5P — CID 3409029

IUPACN-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide
SMILESCCOP(=O)(OCC)C(NC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H24NO5P/c1-4-24-26(22,25-5-2)19(16-9-7-6-8-10-16)20-18(21)15-11-13-17(23-3)14-12-15/h6-14,19H,4-5H2,1-3H3,(H,20,21)
InChIKeySPDIPRSAQGCGFL-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.39
Rot. Bonds9

About N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide

N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide (PubChem CID 3409029) has the molecular formula C19H24NO5P and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide
PubChem CID3409029
Molecular FormulaC19H24NO5P
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC NameN-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide
SMILESCCOP(=O)(OCC)C(NC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H24NO5P/c1-4-24-26(22,25-5-2)19(16-9-7-6-8-10-16)20-18(21)15-11-13-17(23-3)14-12-15/h6-14,19H,4-5H2,1-3H3,(H,20,21)
InChIKeySPDIPRSAQGCGFL-UHFFFAOYSA-N
XLogP4.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide 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 N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide (CID 3409029) is N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide is CCOP(=O)(OCC)C(NC(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide?
The InChIKey is SPDIPRSAQGCGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO5P/c1-4-24-26(22,25-5-2)19(16-9-7-6-8-10-16)20-18(21)15-11-13-17(23-3)14-12-15/h6-14,19H,4-5H2,1-3H3,(H,20,21).
What are the key properties of N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide?
N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide has a molecular weight of 377.38 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 3409029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).