N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide

C34H64N2O — CID 169107701

IUPACN-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide
SMILESCCCCC/C=C\CCCC(CCC/C=C\CCCCC)=NNC(=O)CC(C)CCCCCCCCC
InChIInChI=1S/C34H64N2O/c1-5-8-11-14-17-20-23-26-29-33(30-27-24-21-18-15-12-9-6-2)35-36-34(37)31-32(4)28-25-22-19-16-13-10-7-3/h17-18,20-21,32H,5-16,19,22-31H2,1-4H3,(H,36,37)/b20-17-,21-18-
InChIKeyGAIJSYLBLAVNBD-HIOQQWDOSA-N
MW516.90 g/mol
LogP11.24
Rot. Bonds27

About N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide

N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide (PubChem CID 169107701) has the molecular formula C34H64N2O and a molecular weight of 516.90 g/mol. Its IUPAC name is N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide.

Molecular Properties

Compound NameN-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide
PubChem CID169107701
Molecular FormulaC34H64N2O
Molecular Weight516.90 g/mol
Exact Mass516.50
IUPAC NameN-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide
SMILESCCCCC/C=C\CCCC(CCC/C=C\CCCCC)=NNC(=O)CC(C)CCCCCCCCC
InChIInChI=1S/C34H64N2O/c1-5-8-11-14-17-20-23-26-29-33(30-27-24-21-18-15-12-9-6-2)35-36-34(37)31-32(4)28-25-22-19-16-13-10-7-3/h17-18,20-21,32H,5-16,19,22-31H2,1-4H3,(H,36,37)/b20-17-,21-18-
InChIKeyGAIJSYLBLAVNBD-HIOQQWDOSA-N
XLogP11.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.90
LogP ≤ 511.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide?
The IUPAC name of N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide (CID 169107701) is N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide.
What is the SMILES notation for N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide?
The canonical SMILES for N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide is CCCCC/C=C\CCCC(CCC/C=C\CCCCC)=NNC(=O)CC(C)CCCCCCCCC.
What is the InChIKey of N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide?
The InChIKey is GAIJSYLBLAVNBD-HIOQQWDOSA-N. The full InChI is InChI=1S/C34H64N2O/c1-5-8-11-14-17-20-23-26-29-33(30-27-24-21-18-15-12-9-6-2)35-36-34(37)31-32(4)28-25-22-19-16-13-10-7-3/h17-18,20-21,32H,5-16,19,22-31H2,1-4H3,(H,36,37)/b20-17-,21-18-.
What are the key properties of N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide?
N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide has a molecular weight of 516.90 g/mol, XLogP of 11.24, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide is sourced from PubChem (CID 169107701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).