2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride

C19H33ClN2O3 — CID 24833405

IUPAC2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride
SMILESCCCCOc1ccc(NC(=O)OCC[N+](CC)(CC)CC)cc1.[Cl-]
InChIInChI=1S/C19H32N2O3.ClH/c1-5-9-15-23-18-12-10-17(11-13-18)20-19(22)24-16-14-21(6-2,7-3)8-4;/h10-13H,5-9,14-16H2,1-4H3;1H
InChIKeyWHLAQFLDDUYWDQ-UHFFFAOYSA-N
MW372.94 g/mol
LogP1.29
Rot. Bonds11

About 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride

2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride (PubChem CID 24833405) has the molecular formula C19H33ClN2O3 and a molecular weight of 372.94 g/mol. Its IUPAC name is 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride.

Molecular Properties

Compound Name2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride
PubChem CID24833405
Molecular FormulaC19H33ClN2O3
Molecular Weight372.94 g/mol
Exact Mass372.22
IUPAC Name2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride
SMILESCCCCOc1ccc(NC(=O)OCC[N+](CC)(CC)CC)cc1.[Cl-]
InChIInChI=1S/C19H32N2O3.ClH/c1-5-9-15-23-18-12-10-17(11-13-18)20-19(22)24-16-14-21(6-2,7-3)8-4;/h10-13H,5-9,14-16H2,1-4H3;1H
InChIKeyWHLAQFLDDUYWDQ-UHFFFAOYSA-N
XLogP1.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
(4-butoxyphenyl) N-(4-methylsulfanylphenyl)carbamate
CID 4525207
N-(4-butoxyphenyl)butanamide
CID 4939679
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
[4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoyl]oxyphenyl] 4-(butoxycarbonylamino)benzoate
CID 118216431
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride?
The IUPAC name of 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride (CID 24833405) is 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride.
What is the SMILES notation for 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride?
The canonical SMILES for 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride is CCCCOc1ccc(NC(=O)OCC[N+](CC)(CC)CC)cc1.[Cl-].
What is the InChIKey of 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride?
The InChIKey is WHLAQFLDDUYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3.ClH/c1-5-9-15-23-18-12-10-17(11-13-18)20-19(22)24-16-14-21(6-2,7-3)8-4;/h10-13H,5-9,14-16H2,1-4H3;1H.
What are the key properties of 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride?
2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride has a molecular weight of 372.94 g/mol, XLogP of 1.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride is sourced from PubChem (CID 24833405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).