N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide

C19H22NO5P — CID 74076068

IUPACN-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CC=CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22NO5P/c1-17(21)20(22)13-8-14-26(23,24-15-18-9-4-2-5-10-18)25-16-19-11-6-3-7-12-19/h2-12,14,22H,13,15-16H2,1H3
InChIKeyZCHMFHOMKSIQNX-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.36
Rot. Bonds9

About N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide

N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide (PubChem CID 74076068) has the molecular formula C19H22NO5P and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide
PubChem CID74076068
Molecular FormulaC19H22NO5P
Molecular Weight375.36 g/mol
Exact Mass375.12
IUPAC NameN-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CC=CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22NO5P/c1-17(21)20(22)13-8-14-26(23,24-15-18-9-4-2-5-10-18)25-16-19-11-6-3-7-12-19/h2-12,14,22H,13,15-16H2,1H3
InChIKeyZCHMFHOMKSIQNX-UHFFFAOYSA-N
XLogP4.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide?
The IUPAC name of N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide (CID 74076068) is N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide?
The canonical SMILES for N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide is CC(=O)N(O)CC=CP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide?
The InChIKey is ZCHMFHOMKSIQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO5P/c1-17(21)20(22)13-8-14-26(23,24-15-18-9-4-2-5-10-18)25-16-19-11-6-3-7-12-19/h2-12,14,22H,13,15-16H2,1H3.
What are the key properties of N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide?
N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide has a molecular weight of 375.36 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bis(phenylmethoxy)phosphorylprop-2-enyl]-N-hydroxyacetamide is sourced from PubChem (CID 74076068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).