2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide

C18H22NO5P — CID 101269651

IUPAC2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CP(=O)(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C18H22NO5P/c1-14-9-5-7-11-16(14)23-25(21,13-18(20)19(3)22-4)24-17-12-8-6-10-15(17)2/h5-12H,13H2,1-4H3
InChIKeyBJVKLUJHARALEL-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.97
Rot. Bonds7

About 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide

2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide (PubChem CID 101269651) has the molecular formula C18H22NO5P and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide
PubChem CID101269651
Molecular FormulaC18H22NO5P
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Name2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CP(=O)(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C18H22NO5P/c1-14-9-5-7-11-16(14)23-25(21,13-18(20)19(3)22-4)24-17-12-8-6-10-15(17)2/h5-12H,13H2,1-4H3
InChIKeyBJVKLUJHARALEL-UHFFFAOYSA-N
XLogP3.97
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
CID 174515144
CID 174515144
bis(2-methylphenoxy)phosphoryl ethaneperoxoate
CID 172721615
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid
CID 154071432
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
N-methyl-N-(2-methylphenoxy)acetamide
CID 152851685
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(2-methylphenyl) phosphate
CID 174787830
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653

Frequently Asked Questions

What is the IUPAC name of 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide?
The IUPAC name of 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide (CID 101269651) is 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide is CON(C)C(=O)CP(=O)(Oc1ccccc1C)Oc1ccccc1C.
What is the InChIKey of 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide?
The InChIKey is BJVKLUJHARALEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO5P/c1-14-9-5-7-11-16(14)23-25(21,13-18(20)19(3)22-4)24-17-12-8-6-10-15(17)2/h5-12H,13H2,1-4H3.
What are the key properties of 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide?
2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide has a molecular weight of 363.35 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide is sourced from PubChem (CID 101269651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).