(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid

C22H46NO5P — CID 172720663

IUPAC(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CC.O=P(O)(O)O
InChIInChI=1S/C22H43NO.H3O4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3;1-5(2,3)4/h13-14H,4-12,15-21H2,1-3H3;(H3,1,2,3,4)/b14-13-;
InChIKeyGLXXWFOVQVHOLD-HPWRNOGASA-N
MW435.59 g/mol
LogP5.96
Rot. Bonds17

About (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid

(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid (PubChem CID 172720663) has the molecular formula C22H46NO5P and a molecular weight of 435.59 g/mol. Its IUPAC name is (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid.

Molecular Properties

Compound Name(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
PubChem CID172720663
Molecular FormulaC22H46NO5P
Molecular Weight435.59 g/mol
Exact Mass435.31
IUPAC Name(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CC.O=P(O)(O)O
InChIInChI=1S/C22H43NO.H3O4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3;1-5(2,3)4/h13-14H,4-12,15-21H2,1-3H3;(H3,1,2,3,4)/b14-13-;
InChIKeyGLXXWFOVQVHOLD-HPWRNOGASA-N
XLogP5.96
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid 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

(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
CID 174485021
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
(Z)-hexadec-9-enoic acid;phosphoric acid
CID 155410980
bis((Z)-octadec-9-enoic acid);phosphoric acid
CID 175722517
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(Z)-N-ethyl-N-hydroxyoctadec-9-enamide
CID 175574437
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide
CID 122698321
di(octadec-9-enoyl)phosphinic acid
CID 173143631
sodium;(9Z,12Z)-octadeca-9,12-dienoate;phosphoric acid
CID 175132499
10-[di(octadec-9-enoyl)amino]-10-oxodecanoic acid
CID 154082750
N,N-diethyl-10-oxodecanamide
CID 130369072

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid?
The IUPAC name of (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid (CID 172720663) is (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid.
What is the SMILES notation for (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid?
The canonical SMILES for (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid is CCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CC.O=P(O)(O)O.
What is the InChIKey of (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid?
The InChIKey is GLXXWFOVQVHOLD-HPWRNOGASA-N. The full InChI is InChI=1S/C22H43NO.H3O4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3;1-5(2,3)4/h13-14H,4-12,15-21H2,1-3H3;(H3,1,2,3,4)/b14-13-;.
What are the key properties of (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid?
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid has a molecular weight of 435.59 g/mol, XLogP of 5.96, 17 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyloctadec-9-enamide;phosphoric acid is sourced from PubChem (CID 172720663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).