(Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide

C34H62N2O — CID 174178949

IUPAC(Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide
SMILESC=C(CCC(C#N)CCCCN(CCC)C(=O)CCCCCCC/C=C\CCCCCCCC)C(C)C
InChIInChI=1S/C34H62N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34(37)36(28-7-2)29-23-22-24-33(30-35)27-26-32(5)31(3)4/h14-15,31,33H,5-13,16-29H2,1-4H3/b15-14-
InChIKeyMRPLUWDTGOOKEP-PFONDFGASA-N
MW514.88 g/mol
LogP10.56
Rot. Bonds26

About (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide

(Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide (PubChem CID 174178949) has the molecular formula C34H62N2O and a molecular weight of 514.88 g/mol. Its IUPAC name is (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide
PubChem CID174178949
Molecular FormulaC34H62N2O
Molecular Weight514.88 g/mol
Exact Mass514.49
IUPAC Name(Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide
SMILESC=C(CCC(C#N)CCCCN(CCC)C(=O)CCCCCCC/C=C\CCCCCCCC)C(C)C
InChIInChI=1S/C34H62N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34(37)36(28-7-2)29-23-22-24-33(30-35)27-26-32(5)31(3)4/h14-15,31,33H,5-13,16-29H2,1-4H3/b15-14-
InChIKeyMRPLUWDTGOOKEP-PFONDFGASA-N
XLogP10.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.88
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide?
The IUPAC name of (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide (CID 174178949) is (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide.
What is the SMILES notation for (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide?
The canonical SMILES for (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide is C=C(CCC(C#N)CCCCN(CCC)C(=O)CCCCCCC/C=C\CCCCCCCC)C(C)C.
What is the InChIKey of (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide?
The InChIKey is MRPLUWDTGOOKEP-PFONDFGASA-N. The full InChI is InChI=1S/C34H62N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34(37)36(28-7-2)29-23-22-24-33(30-35)27-26-32(5)31(3)4/h14-15,31,33H,5-13,16-29H2,1-4H3/b15-14-.
What are the key properties of (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide?
(Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide has a molecular weight of 514.88 g/mol, XLogP of 10.56, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-cyano-9-methyl-8-methylidenedecyl)-N-propyloctadec-9-enamide is sourced from PubChem (CID 174178949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).