(Z)-2-aminooctadec-9-enamide

C18H36N2O — CID 56663673

IUPAC(Z)-2-aminooctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(N)=O
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17H,2-8,11-16,19H2,1H3,(H2,20,21)/b10-9-
InChIKeyPTVXZKZVBCIHGK-KTKRTIGZSA-N
MW296.50 g/mol
LogP4.45
Rot. Bonds15

About (Z)-2-aminooctadec-9-enamide

(Z)-2-aminooctadec-9-enamide (PubChem CID 56663673) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (Z)-2-aminooctadec-9-enamide.

Molecular Properties

Compound Name(Z)-2-aminooctadec-9-enamide
PubChem CID56663673
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(Z)-2-aminooctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(N)=O
InChIInChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17H,2-8,11-16,19H2,1H3,(H2,20,21)/b10-9-
InChIKeyPTVXZKZVBCIHGK-KTKRTIGZSA-N
XLogP4.45
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.45
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-aminododecanamide;hydrochloride
CID 14881390
2-hexadecylicos-11-enamide
CID 173011844
methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
methyl (Z)-2-aminohexadec-9-enoate
CID 150010040
(E)-2-methyloctadec-9-enamide
CID 19371032
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-methylicosa-11,14-dienamide
CID 175746328
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
heptatriaconta-6,28-dien-19-amine
CID 123539967
2-triacont-19-enylbutanediamide
CID 155758594

Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminooctadec-9-enamide?
The IUPAC name of (Z)-2-aminooctadec-9-enamide (CID 56663673) is (Z)-2-aminooctadec-9-enamide.
What is the SMILES notation for (Z)-2-aminooctadec-9-enamide?
The canonical SMILES for (Z)-2-aminooctadec-9-enamide is CCCCCCCC/C=C\CCCCCCC(N)C(N)=O.
What is the InChIKey of (Z)-2-aminooctadec-9-enamide?
The InChIKey is PTVXZKZVBCIHGK-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17H,2-8,11-16,19H2,1H3,(H2,20,21)/b10-9-.
What are the key properties of (Z)-2-aminooctadec-9-enamide?
(Z)-2-aminooctadec-9-enamide has a molecular weight of 296.50 g/mol, XLogP of 4.45, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminooctadec-9-enamide is sourced from PubChem (CID 56663673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).