N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide

C15H27NO — CID 142821696

IUPACN-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide
SMILESCC/C=C\C/C=C\C(C)CCCCNC(C)=O
InChIInChI=1S/C15H27NO/c1-4-5-6-7-8-11-14(2)12-9-10-13-16-15(3)17/h5-6,8,11,14H,4,7,9-10,12-13H2,1-3H3,(H,16,17)/b6-5-,11-8-
InChIKeyVYSQOTCPYVIHKL-VRULOHATSA-N
MW237.39 g/mol
LogP3.84
Rot. Bonds9

About N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide

N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide (PubChem CID 142821696) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide.

Molecular Properties

Compound NameN-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide
PubChem CID142821696
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide
SMILESCC/C=C\C/C=C\C(C)CCCCNC(C)=O
InChIInChI=1S/C15H27NO/c1-4-5-6-7-8-11-14(2)12-9-10-13-16-15(3)17/h5-6,8,11,14H,4,7,9-10,12-13H2,1-3H3,(H,16,17)/b6-5-,11-8-
InChIKeyVYSQOTCPYVIHKL-VRULOHATSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 90031560
N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 140637385
(5E,8E,11E,14E,17E)-N-[6-hydroxy-5-(hydroxymethyl)hexyl]icosa-5,8,11,14,17-pentaenamide
CID 178188600
2-[(1Z,4Z)-hepta-1,4-dienyl]decanoic acid
CID 134223187
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
(2R)-6-acetamido-2-(ethylamino)hexanoic acid
CID 89026555
2-(icosa-5,8,11,14,17-pentaenylamino)butanoic acid
CID 123884869
5-acetamido-N-ethylpentanamide
CID 145189248
N-(5-acetamidoheptyl)acetamide
CID 59001684
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
(9Z,12Z,15Z)-2-methyl-1-oxooctadeca-9,12,15-triene-1-sulfonic acid
CID 141130532
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide?
The IUPAC name of N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide (CID 142821696) is N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide.
What is the SMILES notation for N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide?
The canonical SMILES for N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide is CC/C=C\C/C=C\C(C)CCCCNC(C)=O.
What is the InChIKey of N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide?
The InChIKey is VYSQOTCPYVIHKL-VRULOHATSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-5-6-7-8-11-14(2)12-9-10-13-16-15(3)17/h5-6,8,11,14H,4,7,9-10,12-13H2,1-3H3,(H,16,17)/b6-5-,11-8-.
What are the key properties of N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide?
N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide has a molecular weight of 237.39 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide is sourced from PubChem (CID 142821696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).