(Z)-N-(2,2-diethoxyethyl)octadec-9-enamide

C24H47NO3 — CID 169210974

IUPAC(Z)-N-(2,2-diethoxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCC(OCC)OCC
InChIInChI=1S/C24H47NO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27-5-2)28-6-3/h13-14,24H,4-12,15-22H2,1-3H3,(H,25,26)/b14-13-
InChIKeyFBZJHCTVLQQBPW-YPKPFQOOSA-N
MW397.64 g/mol
LogP6.54
Rot. Bonds21

About (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide

(Z)-N-(2,2-diethoxyethyl)octadec-9-enamide (PubChem CID 169210974) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2,2-diethoxyethyl)octadec-9-enamide
PubChem CID169210974
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name(Z)-N-(2,2-diethoxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCC(OCC)OCC
InChIInChI=1S/C24H47NO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27-5-2)28-6-3/h13-14,24H,4-12,15-22H2,1-3H3,(H,25,26)/b14-13-
InChIKeyFBZJHCTVLQQBPW-YPKPFQOOSA-N
XLogP6.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide (CID 169210974) is (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCC(OCC)OCC.
What is the InChIKey of (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide?
The InChIKey is FBZJHCTVLQQBPW-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H47NO3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27-5-2)28-6-3/h13-14,24H,4-12,15-22H2,1-3H3,(H,25,26)/b14-13-.
What are the key properties of (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide?
(Z)-N-(2,2-diethoxyethyl)octadec-9-enamide has a molecular weight of 397.64 g/mol, XLogP of 6.54, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,2-diethoxyethyl)octadec-9-enamide is sourced from PubChem (CID 169210974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).