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

C20H42NO5P — CID 174485021

IUPAC(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)C.O=P(O)(O)O
InChIInChI=1S/C20H39NO.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;1-5(2,3)4/h11-12H,4-10,13-19H2,1-3H3;(H3,1,2,3,4)/b12-11-;
InChIKeyNZKPCXSFJWHKEN-AFEZEDKISA-N
MW407.53 g/mol
LogP5.18
Rot. Bonds15

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

(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid (PubChem CID 174485021) has the molecular formula C20H42NO5P and a molecular weight of 407.53 g/mol. Its IUPAC name is (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid.

Molecular Properties

Compound Name(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
PubChem CID174485021
Molecular FormulaC20H42NO5P
Molecular Weight407.53 g/mol
Exact Mass407.28
IUPAC Name(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)C.O=P(O)(O)O
InChIInChI=1S/C20H39NO.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;1-5(2,3)4/h11-12H,4-10,13-19H2,1-3H3;(H3,1,2,3,4)/b12-11-;
InChIKeyNZKPCXSFJWHKEN-AFEZEDKISA-N
XLogP5.18
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.18
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'}

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Related Compounds

(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
(E)-N,N-dimethyldec-4-enamide
CID 13308680
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
(Z)-hexadec-9-enoic acid;phosphoric acid
CID 155410980
bis((Z)-octadec-9-enoic acid);phosphoric acid
CID 175722517
N,N-dimethylnon-6-enamide
CID 76781952
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
(E)-N,N-dimethyldec-3-enamide
CID 11321540

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid?
The IUPAC name of (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid (CID 174485021) is (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid.
What is the SMILES notation for (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid?
The canonical SMILES for (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid is CCCCCCCC/C=C\CCCCCCCC(=O)N(C)C.O=P(O)(O)O.
What is the InChIKey of (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid?
The InChIKey is NZKPCXSFJWHKEN-AFEZEDKISA-N. The full InChI is InChI=1S/C20H39NO.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3;1-5(2,3)4/h11-12H,4-10,13-19H2,1-3H3;(H3,1,2,3,4)/b12-11-;.
What are the key properties of (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid?
(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid has a molecular weight of 407.53 g/mol, XLogP of 5.18, 15 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid is sourced from PubChem (CID 174485021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).