[acetyl(methyl)amino] dibenzyl phosphite

C17H20NO4P — CID 175297347

IUPAC[acetyl(methyl)amino] dibenzyl phosphite
SMILESCC(=O)N(C)OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20NO4P/c1-15(19)18(2)22-23(20-13-16-9-5-3-6-10-16)21-14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeyUDIKKMSDABVFJV-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.06
Rot. Bonds8

About [acetyl(methyl)amino] dibenzyl phosphite

[acetyl(methyl)amino] dibenzyl phosphite (PubChem CID 175297347) has the molecular formula C17H20NO4P and a molecular weight of 333.32 g/mol. Its IUPAC name is [acetyl(methyl)amino] dibenzyl phosphite.

Molecular Properties

Compound Name[acetyl(methyl)amino] dibenzyl phosphite
PubChem CID175297347
Molecular FormulaC17H20NO4P
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name[acetyl(methyl)amino] dibenzyl phosphite
SMILESCC(=O)N(C)OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20NO4P/c1-15(19)18(2)22-23(20-13-16-9-5-3-6-10-16)21-14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeyUDIKKMSDABVFJV-UHFFFAOYSA-N
XLogP4.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tribenzyl phosphite
CID 11810300
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Frequently Asked Questions

What is the IUPAC name of [acetyl(methyl)amino] dibenzyl phosphite?
The IUPAC name of [acetyl(methyl)amino] dibenzyl phosphite (CID 175297347) is [acetyl(methyl)amino] dibenzyl phosphite.
What is the SMILES notation for [acetyl(methyl)amino] dibenzyl phosphite?
The canonical SMILES for [acetyl(methyl)amino] dibenzyl phosphite is CC(=O)N(C)OP(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [acetyl(methyl)amino] dibenzyl phosphite?
The InChIKey is UDIKKMSDABVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO4P/c1-15(19)18(2)22-23(20-13-16-9-5-3-6-10-16)21-14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3.
What are the key properties of [acetyl(methyl)amino] dibenzyl phosphite?
[acetyl(methyl)amino] dibenzyl phosphite has a molecular weight of 333.32 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(methyl)amino] dibenzyl phosphite is sourced from PubChem (CID 175297347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).