[(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium

C24H47N2O2+ — CID 58668208

IUPAC[(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCC[NH3+])C(C)=O
InChIInChI=1S/C24H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(28)26-23(22(2)27)19-18-21-25/h10-11,23H,3-9,12-21,25H2,1-2H3,(H,26,28)/p+1/b11-10-/t23-/m0/s1
InChIKeySWACRNPWKCCESA-JCKUYFFHSA-O
MW395.65 g/mol
LogP5.12
Rot. Bonds20

About [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium

[(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium (PubChem CID 58668208) has the molecular formula C24H47N2O2+ and a molecular weight of 395.65 g/mol. Its IUPAC name is [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium.

Molecular Properties

Compound Name[(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium
PubChem CID58668208
Molecular FormulaC24H47N2O2+
Molecular Weight395.65 g/mol
Exact Mass395.36
IUPAC Name[(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCC[NH3+])C(C)=O
InChIInChI=1S/C24H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(28)26-23(22(2)27)19-18-21-25/h10-11,23H,3-9,12-21,25H2,1-2H3,(H,26,28)/p+1/b11-10-/t23-/m0/s1
InChIKeySWACRNPWKCCESA-JCKUYFFHSA-O
XLogP5.12
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.65
LogP ≤ 55.12
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

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
(9Z)-N-(9Z)-9-Octadecen-1-yl-9-octadecenamide
CID 51341857
Linoleamidopropyl Dimethylamine
CID 16745071
Ethylene dioleamide
CID 6436065
9-Octadecenamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-, (9Z,9'Z)-
CID 6441654
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377
9-Octadecenamide, N-(9Z)-9-octadecen-1-yl-, (9Z)-
CID 6442040
13-Docosenamide, N-(3-(dimethylamino)propyl)-, (13Z)-
CID 87989022
(Z)-N-[(3R)-2-oxoazepan-3-yl]octadec-9-enamide
CID 11280819

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium?
The IUPAC name of [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium (CID 58668208) is [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium.
What is the SMILES notation for [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium?
The canonical SMILES for [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium is CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCC[NH3+])C(C)=O.
What is the InChIKey of [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium?
The InChIKey is SWACRNPWKCCESA-JCKUYFFHSA-O. The full InChI is InChI=1S/C24H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(28)26-23(22(2)27)19-18-21-25/h10-11,23H,3-9,12-21,25H2,1-2H3,(H,26,28)/p+1/b11-10-/t23-/m0/s1.
What are the key properties of [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium?
[(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium has a molecular weight of 395.65 g/mol, XLogP of 5.12, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[[(Z)-octadec-9-enoyl]amino]-5-oxohexyl]azanium is sourced from PubChem (CID 58668208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).