acetamido-hexadecyl-dimethylazanium

C20H43N2O+ — CID 154504461

IUPACacetamido-hexadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)NC(C)=O
InChIInChI=1S/C20H42N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(3,4)21-20(2)23/h5-19H2,1-4H3/p+1
InChIKeyYODBHDSIBRAQEJ-UHFFFAOYSA-O
MW327.58 g/mol
LogP5.60
Rot. Bonds16

About acetamido-hexadecyl-dimethylazanium

acetamido-hexadecyl-dimethylazanium (PubChem CID 154504461) has the molecular formula C20H43N2O+ and a molecular weight of 327.58 g/mol. Its IUPAC name is acetamido-hexadecyl-dimethylazanium.

Molecular Properties

Compound Nameacetamido-hexadecyl-dimethylazanium
PubChem CID154504461
Molecular FormulaC20H43N2O+
Molecular Weight327.58 g/mol
Exact Mass327.34
IUPAC Nameacetamido-hexadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)NC(C)=O
InChIInChI=1S/C20H42N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(3,4)21-20(2)23/h5-19H2,1-4H3/p+1
InChIKeyYODBHDSIBRAQEJ-UHFFFAOYSA-O
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.58
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(adamantane-1-carbonylamino)-dimethyl-tridecylazanium
CID 70587165
acetic acid;didecyl(dimethyl)azanium
CID 87374171
(dodecanoylamino)-dimethyl-propylazanium chloride
CID 175462059
trimethyl(undecyl)azanium acetate
CID 174998472
2-hydroxyethyl-dimethyl-(octanoylamino)azanium
CID 15496013
carboxymethyl-docosyl-dimethylazanium
CID 21149404
dimethyl-[[(Z)-octadec-9-enoyl]amino]-propylazanium
CID 87094383
bis(trimethyl(tetradecyl)azanium);carbonate
CID 118467100
bis(hexadecyl(trimethyl)azanium);carbonate
CID 15617077
carboxymethyl-hexadecyl-dimethylazanium chloride
CID 21069695
[[(Z)-docos-13-enoyl]amino]-dimethyl-propylazanium acetate
CID 87930887
acetic acid;decane
CID 172853582

Frequently Asked Questions

What is the IUPAC name of acetamido-hexadecyl-dimethylazanium?
The IUPAC name of acetamido-hexadecyl-dimethylazanium (CID 154504461) is acetamido-hexadecyl-dimethylazanium.
What is the SMILES notation for acetamido-hexadecyl-dimethylazanium?
The canonical SMILES for acetamido-hexadecyl-dimethylazanium is CCCCCCCCCCCCCCCC[N+](C)(C)NC(C)=O.
What is the InChIKey of acetamido-hexadecyl-dimethylazanium?
The InChIKey is YODBHDSIBRAQEJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H42N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(3,4)21-20(2)23/h5-19H2,1-4H3/p+1.
What are the key properties of acetamido-hexadecyl-dimethylazanium?
acetamido-hexadecyl-dimethylazanium has a molecular weight of 327.58 g/mol, XLogP of 5.60, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido-hexadecyl-dimethylazanium is sourced from PubChem (CID 154504461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).