benzyl-dimethyl-tetradecanoylazanium

C23H40NO+ — CID 88833628

IUPACbenzyl-dimethyl-tetradecanoylazanium
SMILESCCCCCCCCCCCCCC(=O)[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C23H40NO/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1
InChIKeyQLWTYQWOGMCDGL-UHFFFAOYSA-N
MW346.58 g/mol
LogP6.49
Rot. Bonds14

About benzyl-dimethyl-tetradecanoylazanium

benzyl-dimethyl-tetradecanoylazanium (PubChem CID 88833628) has the molecular formula C23H40NO+ and a molecular weight of 346.58 g/mol. Its IUPAC name is benzyl-dimethyl-tetradecanoylazanium.

Molecular Properties

Compound Namebenzyl-dimethyl-tetradecanoylazanium
PubChem CID88833628
Molecular FormulaC23H40NO+
Molecular Weight346.58 g/mol
Exact Mass346.31
IUPAC Namebenzyl-dimethyl-tetradecanoylazanium
SMILESCCCCCCCCCCCCCC(=O)[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C23H40NO/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1
InChIKeyQLWTYQWOGMCDGL-UHFFFAOYSA-N
XLogP6.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

benzyl-icosanoyl-dimethylazanium
CID 88833236
benzyl-dimethyl-undecanoylazanium
CID 88833769
benzyl-diethyl-octadecanoylazanium chloride
CID 174424505
benzyl(trimethyl)azanium;hexanoic acid
CID 71445176
bis(benzyl-dodecyl-dimethylazanium);butanedioate
CID 118659054
benzyl-dimethyl-[3-(nonadecanoylamino)propyl]azanium
CID 101212819
1-phenylheptadecan-2-one
CID 12920609
N-benzylundecanamide
CID 5078198
bis(benzyl-(2-hydroxydodecyl)-dimethylazanium);butanedioate
CID 19822920
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-tetradecanoylazanium?
The IUPAC name of benzyl-dimethyl-tetradecanoylazanium (CID 88833628) is benzyl-dimethyl-tetradecanoylazanium.
What is the SMILES notation for benzyl-dimethyl-tetradecanoylazanium?
The canonical SMILES for benzyl-dimethyl-tetradecanoylazanium is CCCCCCCCCCCCCC(=O)[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-tetradecanoylazanium?
The InChIKey is QLWTYQWOGMCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40NO/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1.
What are the key properties of benzyl-dimethyl-tetradecanoylazanium?
benzyl-dimethyl-tetradecanoylazanium has a molecular weight of 346.58 g/mol, XLogP of 6.49, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-tetradecanoylazanium is sourced from PubChem (CID 88833628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).