azane;ethoxymethyl hexadecyl methyl phosphate

C20H46NO5P — CID 174975557

IUPACazane;ethoxymethyl hexadecyl methyl phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(OC)OCOCC.N
InChIInChI=1S/C20H43O5P.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26(21,22-3)25-20-23-5-2;/h4-20H2,1-3H3;1H3
InChIKeyBRXXKNXYDJZSNH-UHFFFAOYSA-N
MW411.56 g/mol
LogP7.41
Rot. Bonds21

About azane;ethoxymethyl hexadecyl methyl phosphate

azane;ethoxymethyl hexadecyl methyl phosphate (PubChem CID 174975557) has the molecular formula C20H46NO5P and a molecular weight of 411.56 g/mol. Its IUPAC name is azane;ethoxymethyl hexadecyl methyl phosphate.

Molecular Properties

Compound Nameazane;ethoxymethyl hexadecyl methyl phosphate
PubChem CID174975557
Molecular FormulaC20H46NO5P
Molecular Weight411.56 g/mol
Exact Mass411.31
IUPAC Nameazane;ethoxymethyl hexadecyl methyl phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(OC)OCOCC.N
InChIInChI=1S/C20H43O5P.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26(21,22-3)25-20-23-5-2;/h4-20H2,1-3H3;1H3
InChIKeyBRXXKNXYDJZSNH-UHFFFAOYSA-N
XLogP7.41
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.56
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze azane;ethoxymethyl hexadecyl methyl phosphate with MolForge

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

Launch Full Analysis

Related Compounds

butyl hexadecyl methyl phosphate;trimethylazanium
CID 145097672
azane;didodecyl ethyl phosphate
CID 170436215
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
alumane;ethoxymethyl octadecyl hydrogen phosphate
CID 173415444
aluminum tris(ethoxymethyl octadecyl phosphate)
CID 158922030
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
diheptyl propyl phosphate
CID 22497721
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695

Frequently Asked Questions

What is the IUPAC name of azane;ethoxymethyl hexadecyl methyl phosphate?
The IUPAC name of azane;ethoxymethyl hexadecyl methyl phosphate (CID 174975557) is azane;ethoxymethyl hexadecyl methyl phosphate.
What is the SMILES notation for azane;ethoxymethyl hexadecyl methyl phosphate?
The canonical SMILES for azane;ethoxymethyl hexadecyl methyl phosphate is CCCCCCCCCCCCCCCCOP(=O)(OC)OCOCC.N.
What is the InChIKey of azane;ethoxymethyl hexadecyl methyl phosphate?
The InChIKey is BRXXKNXYDJZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O5P.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26(21,22-3)25-20-23-5-2;/h4-20H2,1-3H3;1H3.
What are the key properties of azane;ethoxymethyl hexadecyl methyl phosphate?
azane;ethoxymethyl hexadecyl methyl phosphate has a molecular weight of 411.56 g/mol, XLogP of 7.41, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethoxymethyl hexadecyl methyl phosphate is sourced from PubChem (CID 174975557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).