3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium

C20H41N2O2+ — CID 118403102

IUPAC3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
SMILESCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(C)=O
InChIInChI=1S/C20H40N2O2/c1-5-6-7-8-9-10-11-12-13-15-20(24)21-16-14-17-22(3,4)18-19(2)23/h5-18H2,1-4H3/p+1
InChIKeyPZSBISDDUPOGNW-UHFFFAOYSA-O
MW341.56 g/mol
LogP4.08
Rot. Bonds16

About 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium

3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium (PubChem CID 118403102) has the molecular formula C20H41N2O2+ and a molecular weight of 341.56 g/mol. Its IUPAC name is 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium.

Molecular Properties

Compound Name3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
PubChem CID118403102
Molecular FormulaC20H41N2O2+
Molecular Weight341.56 g/mol
Exact Mass341.32
IUPAC Name3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
SMILESCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(C)=O
InChIInChI=1S/C20H40N2O2/c1-5-6-7-8-9-10-11-12-13-15-20(24)21-16-14-17-22(3,4)18-19(2)23/h5-18H2,1-4H3/p+1
InChIKeyPZSBISDDUPOGNW-UHFFFAOYSA-O
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(docosanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
CID 162027110
carboxymethyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium hydroxide
CID 21150963
dimethyl-[3-(octadecanoylamino)propyl]-octadecylazanium
CID 22757067
3-(dodecanoylamino)propyl-dimethyl-tetradecylazanium chloride
CID 88804757
3-(heptadecanoylamino)propyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 118501458
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium iodide
CID 141035948
2-[3-[[(Z)-docos-13-enoyl]amino]propyl-dimethylazaniumyl]acetate
CID 76962055
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium
CID 22770245
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
[2-[6-[[2-[dimethyl(octyl)azaniumyl]acetyl]amino]hexylamino]-2-oxoethyl]-dimethyl-octylazanium
CID 122212878
12-[dimethyl-[2-(octylamino)-2-oxoethyl]azaniumyl]dodecyl-dimethyl-[2-(octylamino)-2-oxoethyl]azanium
CID 134154384

Frequently Asked Questions

What is the IUPAC name of 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium?
The IUPAC name of 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium (CID 118403102) is 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium.
What is the SMILES notation for 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium?
The canonical SMILES for 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium is CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(C)=O.
What is the InChIKey of 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium?
The InChIKey is PZSBISDDUPOGNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H40N2O2/c1-5-6-7-8-9-10-11-12-13-15-20(24)21-16-14-17-22(3,4)18-19(2)23/h5-18H2,1-4H3/p+1.
What are the key properties of 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium?
3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium has a molecular weight of 341.56 g/mol, XLogP of 4.08, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium is sourced from PubChem (CID 118403102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).