N-(2-diethoxyphosphorylethyl)heptanamide

C13H28NO4P — CID 143289197

IUPACN-(2-diethoxyphosphorylethyl)heptanamide
SMILESCCCCCCC(=O)NCCP(=O)(OCC)OCC
InChIInChI=1S/C13H28NO4P/c1-4-7-8-9-10-13(15)14-11-12-19(16,17-5-2)18-6-3/h4-12H2,1-3H3,(H,14,15)
InChIKeyDWNMUSOSJSOJBO-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.34
Rot. Bonds12

About N-(2-diethoxyphosphorylethyl)heptanamide

N-(2-diethoxyphosphorylethyl)heptanamide (PubChem CID 143289197) has the molecular formula C13H28NO4P and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2-diethoxyphosphorylethyl)heptanamide.

Molecular Properties

Compound NameN-(2-diethoxyphosphorylethyl)heptanamide
PubChem CID143289197
Molecular FormulaC13H28NO4P
Molecular Weight293.34 g/mol
Exact Mass293.18
IUPAC NameN-(2-diethoxyphosphorylethyl)heptanamide
SMILESCCCCCCC(=O)NCCP(=O)(OCC)OCC
InChIInChI=1S/C13H28NO4P/c1-4-7-8-9-10-13(15)14-11-12-19(16,17-5-2)18-6-3/h4-12H2,1-3H3,(H,14,15)
InChIKeyDWNMUSOSJSOJBO-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-diethoxyphosphorylethyl)heptanamide 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

N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
3-(tetradecanoylamino)propylphosphonic acid
CID 141196377
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-(2-diethoxyphosphorylethyl)heptanamide?
The IUPAC name of N-(2-diethoxyphosphorylethyl)heptanamide (CID 143289197) is N-(2-diethoxyphosphorylethyl)heptanamide.
What is the SMILES notation for N-(2-diethoxyphosphorylethyl)heptanamide?
The canonical SMILES for N-(2-diethoxyphosphorylethyl)heptanamide is CCCCCCC(=O)NCCP(=O)(OCC)OCC.
What is the InChIKey of N-(2-diethoxyphosphorylethyl)heptanamide?
The InChIKey is DWNMUSOSJSOJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO4P/c1-4-7-8-9-10-13(15)14-11-12-19(16,17-5-2)18-6-3/h4-12H2,1-3H3,(H,14,15).
What are the key properties of N-(2-diethoxyphosphorylethyl)heptanamide?
N-(2-diethoxyphosphorylethyl)heptanamide has a molecular weight of 293.34 g/mol, XLogP of 3.34, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethoxyphosphorylethyl)heptanamide is sourced from PubChem (CID 143289197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).