2-[(Z)-octadec-9-enyl]hexanediamide

C24H46N2O2 — CID 174792475

IUPAC2-[(Z)-octadec-9-enyl]hexanediamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(CCCC(N)=O)C(N)=O
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24(26)28)20-18-21-23(25)27/h9-10,22H,2-8,11-21H2,1H3,(H2,25,27)(H2,26,28)/b10-9-
InChIKeyGNDZAOAFVVTCQN-KTKRTIGZSA-N
MW394.64 g/mol
LogP6.17
Rot. Bonds21

About 2-[(Z)-octadec-9-enyl]hexanediamide

2-[(Z)-octadec-9-enyl]hexanediamide (PubChem CID 174792475) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 2-[(Z)-octadec-9-enyl]hexanediamide.

Molecular Properties

Compound Name2-[(Z)-octadec-9-enyl]hexanediamide
PubChem CID174792475
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name2-[(Z)-octadec-9-enyl]hexanediamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(CCCC(N)=O)C(N)=O
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24(26)28)20-18-21-23(25)27/h9-10,22H,2-8,11-21H2,1H3,(H2,25,27)(H2,26,28)/b10-9-
InChIKeyGNDZAOAFVVTCQN-KTKRTIGZSA-N
XLogP6.17
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 56.17
H-Bond Donors ≤ 52
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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Related Compounds

2-hexadecylicos-11-enamide
CID 173011844
2-undecylhexanediamide
CID 174629940
2-triacont-19-enylbutanediamide
CID 155758594
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
(9Z,28Z)-19-pentylheptatriaconta-9,28-dienediamide
CID 141048473
(Z)-N-(3-carbamoyltridecyl)docos-13-enamide
CID 175080383
2-propylhexacosa-16,18,20-trienamide
CID 173137662
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
(Z)-tricos-15-enamide
CID 155109212
(E)-icos-11-enamide
CID 5365373

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-octadec-9-enyl]hexanediamide?
The IUPAC name of 2-[(Z)-octadec-9-enyl]hexanediamide (CID 174792475) is 2-[(Z)-octadec-9-enyl]hexanediamide.
What is the SMILES notation for 2-[(Z)-octadec-9-enyl]hexanediamide?
The canonical SMILES for 2-[(Z)-octadec-9-enyl]hexanediamide is CCCCCCCC/C=C\CCCCCCCCC(CCCC(N)=O)C(N)=O.
What is the InChIKey of 2-[(Z)-octadec-9-enyl]hexanediamide?
The InChIKey is GNDZAOAFVVTCQN-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24(26)28)20-18-21-23(25)27/h9-10,22H,2-8,11-21H2,1H3,(H2,25,27)(H2,26,28)/b10-9-.
What are the key properties of 2-[(Z)-octadec-9-enyl]hexanediamide?
2-[(Z)-octadec-9-enyl]hexanediamide has a molecular weight of 394.64 g/mol, XLogP of 6.17, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-octadec-9-enyl]hexanediamide is sourced from PubChem (CID 174792475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).