N-tetradecyl-N-undecyloctadec-9-enamide

C43H85NO — CID 173113706

IUPACN-tetradecyl-N-undecyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(CCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C43H85NO/c1-4-7-10-13-16-19-21-23-24-25-26-28-31-34-37-40-43(45)44(41-38-35-32-29-18-15-12-9-6-3)42-39-36-33-30-27-22-20-17-14-11-8-5-2/h23-24H,4-22,25-42H2,1-3H3
InChIKeyGUHHSZUPRABPLS-UHFFFAOYSA-N
MW632.16 g/mol
LogP15.08
Rot. Bonds38

About N-tetradecyl-N-undecyloctadec-9-enamide

N-tetradecyl-N-undecyloctadec-9-enamide (PubChem CID 173113706) has the molecular formula C43H85NO and a molecular weight of 632.16 g/mol. Its IUPAC name is N-tetradecyl-N-undecyloctadec-9-enamide.

Molecular Properties

Compound NameN-tetradecyl-N-undecyloctadec-9-enamide
PubChem CID173113706
Molecular FormulaC43H85NO
Molecular Weight632.16 g/mol
Exact Mass631.66
IUPAC NameN-tetradecyl-N-undecyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(CCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C43H85NO/c1-4-7-10-13-16-19-21-23-24-25-26-28-31-34-37-40-43(45)44(41-38-35-32-29-18-15-12-9-6-3)42-39-36-33-30-27-22-20-17-14-11-8-5-2/h23-24H,4-22,25-42H2,1-3H3
InChIKeyGUHHSZUPRABPLS-UHFFFAOYSA-N
XLogP15.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.16
LogP ≤ 515.08
H-Bond Donors ≤ 50
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

N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 101425299
N-butyl-N-octyldecanamide
CID 18913402
N-butyl-N-hexyl-11-oxoundecanamide
CID 172894369
N-[3-[bis(3-hydroxypropyl)amino]propyl]-N-(3-hydroxypropyl)octadec-9-enamide
CID 173431386
N,N-di(undecyl)pentanamide
CID 532896
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
2-chloro-N,N-bis[(Z)-octadec-9-enyl]acetamide
CID 162712758
dimethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienoyl]-[(9Z,12Z)-octadeca-9,12-dienyl]amino]propyl]-[(9Z,12Z)-octadeca-9,12-dienyl]azanium chloride
CID 134205263
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772

Frequently Asked Questions

What is the IUPAC name of N-tetradecyl-N-undecyloctadec-9-enamide?
The IUPAC name of N-tetradecyl-N-undecyloctadec-9-enamide (CID 173113706) is N-tetradecyl-N-undecyloctadec-9-enamide.
What is the SMILES notation for N-tetradecyl-N-undecyloctadec-9-enamide?
The canonical SMILES for N-tetradecyl-N-undecyloctadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)N(CCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of N-tetradecyl-N-undecyloctadec-9-enamide?
The InChIKey is GUHHSZUPRABPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H85NO/c1-4-7-10-13-16-19-21-23-24-25-26-28-31-34-37-40-43(45)44(41-38-35-32-29-18-15-12-9-6-3)42-39-36-33-30-27-22-20-17-14-11-8-5-2/h23-24H,4-22,25-42H2,1-3H3.
What are the key properties of N-tetradecyl-N-undecyloctadec-9-enamide?
N-tetradecyl-N-undecyloctadec-9-enamide has a molecular weight of 632.16 g/mol, XLogP of 15.08, 38 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecyl-N-undecyloctadec-9-enamide is sourced from PubChem (CID 173113706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).