[4-(diethylcarbamoyl)phenyl]-trimethylazanium

C14H23N2O+ — CID 122214787

IUPAC[4-(diethylcarbamoyl)phenyl]-trimethylazanium
SMILESCCN(CC)C(=O)c1ccc([N+](C)(C)C)cc1
InChIInChI=1S/C14H23N2O/c1-6-15(7-2)14(17)12-8-10-13(11-9-12)16(3,4)5/h8-11H,6-7H2,1-5H3/q+1
InChIKeyQHIWVBBXCLVAJM-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.37
Rot. Bonds4

About [4-(diethylcarbamoyl)phenyl]-trimethylazanium

[4-(diethylcarbamoyl)phenyl]-trimethylazanium (PubChem CID 122214787) has the molecular formula C14H23N2O+ and a molecular weight of 235.35 g/mol. Its IUPAC name is [4-(diethylcarbamoyl)phenyl]-trimethylazanium.

Molecular Properties

Compound Name[4-(diethylcarbamoyl)phenyl]-trimethylazanium
PubChem CID122214787
Molecular FormulaC14H23N2O+
Molecular Weight235.35 g/mol
Exact Mass235.18
IUPAC Name[4-(diethylcarbamoyl)phenyl]-trimethylazanium
SMILESCCN(CC)C(=O)c1ccc([N+](C)(C)C)cc1
InChIInChI=1S/C14H23N2O/c1-6-15(7-2)14(17)12-8-10-13(11-9-12)16(3,4)5/h8-11H,6-7H2,1-5H3/q+1
InChIKeyQHIWVBBXCLVAJM-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
CID 174412487
CID 174412487
4-butyl-N,N-diethylbenzamide
CID 60675001
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
N,N-diethyl-4-(methylsulfanylmethyl)benzamide
CID 60635900
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
CID 78777192
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
4-(cyanomethyl)-N,N-diethylbenzamide
CID 82179217

Frequently Asked Questions

What is the IUPAC name of [4-(diethylcarbamoyl)phenyl]-trimethylazanium?
The IUPAC name of [4-(diethylcarbamoyl)phenyl]-trimethylazanium (CID 122214787) is [4-(diethylcarbamoyl)phenyl]-trimethylazanium.
What is the SMILES notation for [4-(diethylcarbamoyl)phenyl]-trimethylazanium?
The canonical SMILES for [4-(diethylcarbamoyl)phenyl]-trimethylazanium is CCN(CC)C(=O)c1ccc([N+](C)(C)C)cc1.
What is the InChIKey of [4-(diethylcarbamoyl)phenyl]-trimethylazanium?
The InChIKey is QHIWVBBXCLVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O/c1-6-15(7-2)14(17)12-8-10-13(11-9-12)16(3,4)5/h8-11H,6-7H2,1-5H3/q+1.
What are the key properties of [4-(diethylcarbamoyl)phenyl]-trimethylazanium?
[4-(diethylcarbamoyl)phenyl]-trimethylazanium has a molecular weight of 235.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylcarbamoyl)phenyl]-trimethylazanium is sourced from PubChem (CID 122214787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).