(Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide

C25H48N2O2 — CID 58668173

IUPAC(Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(C)=O
InChIInChI=1S/C25H48N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(29)27-24(23(2)28)20-18-19-22-26/h10-11,24H,3-9,12-22,26H2,1-2H3,(H,27,29)/b11-10-
InChIKeyMGXTVNPLBURJPJ-KHPPLWFESA-N
MW408.67 g/mol
LogP6.23
Rot. Bonds21

About (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide

(Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide (PubChem CID 58668173) has the molecular formula C25H48N2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide
PubChem CID58668173
Molecular FormulaC25H48N2O2
Molecular Weight408.67 g/mol
Exact Mass408.37
IUPAC Name(Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(C)=O
InChIInChI=1S/C25H48N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(29)27-24(23(2)28)20-18-19-22-26/h10-11,24H,3-9,12-22,26H2,1-2H3,(H,27,29)/b11-10-
InChIKeyMGXTVNPLBURJPJ-KHPPLWFESA-N
XLogP6.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Stearyl erucamide
CID 6436363
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-
CID 66966
Oleyl palmitamide
CID 6436436
N-(3-(Dimethylamino)propyl)oleamide
CID 6436063
Oleamidopropyl Betaine
CID 6436555
(9Z)-N-(9Z)-9-Octadecen-1-yl-9-octadecenamide
CID 51341857
Linoleamidopropyl Dimethylamine
CID 16745071
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
Ethylene dioleamide
CID 6436065
N-isopropyl arachidonoyl amine
CID 5283395
9-Octadecenamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-, (9Z,9'Z)-
CID 6441654
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide?
The IUPAC name of (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide (CID 58668173) is (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(C)=O.
What is the InChIKey of (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide?
The InChIKey is MGXTVNPLBURJPJ-KHPPLWFESA-N. The full InChI is InChI=1S/C25H48N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(29)27-24(23(2)28)20-18-19-22-26/h10-11,24H,3-9,12-22,26H2,1-2H3,(H,27,29)/b11-10-.
What are the key properties of (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide?
(Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide has a molecular weight of 408.67 g/mol, XLogP of 6.23, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(7-amino-2-oxoheptan-3-yl)octadec-9-enamide is sourced from PubChem (CID 58668173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).