dimethyl propyl phosphate;octadecanamide

C23H50NO5P — CID 161011804

IUPACdimethyl propyl phosphate;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCOP(=O)(OC)OC
InChIInChI=1S/C18H37NO.C5H13O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-9-10(6,7-2)8-3/h2-17H2,1H3,(H2,19,20);4-5H2,1-3H3
InChIKeyTXFHLHXXVZGSIY-UHFFFAOYSA-N
MW451.63 g/mol
LogP7.55
Rot. Bonds21

About dimethyl propyl phosphate;octadecanamide

dimethyl propyl phosphate;octadecanamide (PubChem CID 161011804) has the molecular formula C23H50NO5P and a molecular weight of 451.63 g/mol. Its IUPAC name is dimethyl propyl phosphate;octadecanamide.

Molecular Properties

Compound Namedimethyl propyl phosphate;octadecanamide
PubChem CID161011804
Molecular FormulaC23H50NO5P
Molecular Weight451.63 g/mol
Exact Mass451.34
IUPAC Namedimethyl propyl phosphate;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCOP(=O)(OC)OC
InChIInChI=1S/C18H37NO.C5H13O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-9-10(6,7-2)8-3/h2-17H2,1H3,(H2,19,20);4-5H2,1-3H3
InChIKeyTXFHLHXXVZGSIY-UHFFFAOYSA-N
XLogP7.55
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.63
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl propyl phosphate;octadecanamide 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

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
octadecanamide;zinc
CID 87169213
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
ethanol;tridecanamide
CID 174935457
2-[3-decanoyloxypropoxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 168891190
[(2R)-3-dimethoxyphosphoryloxy-2-hydroxypropyl] hexadecanoate
CID 66572937
CID 87899207
CID 87899207
octadecanoic acid;trioctyl phosphate
CID 87588558

Frequently Asked Questions

What is the IUPAC name of dimethyl propyl phosphate;octadecanamide?
The IUPAC name of dimethyl propyl phosphate;octadecanamide (CID 161011804) is dimethyl propyl phosphate;octadecanamide.
What is the SMILES notation for dimethyl propyl phosphate;octadecanamide?
The canonical SMILES for dimethyl propyl phosphate;octadecanamide is CCCCCCCCCCCCCCCCCC(N)=O.CCCOP(=O)(OC)OC.
What is the InChIKey of dimethyl propyl phosphate;octadecanamide?
The InChIKey is TXFHLHXXVZGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.C5H13O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-9-10(6,7-2)8-3/h2-17H2,1H3,(H2,19,20);4-5H2,1-3H3.
What are the key properties of dimethyl propyl phosphate;octadecanamide?
dimethyl propyl phosphate;octadecanamide has a molecular weight of 451.63 g/mol, XLogP of 7.55, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl propyl phosphate;octadecanamide is sourced from PubChem (CID 161011804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).