2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate

C13H18N2O4 — CID 28762542

IUPAC2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate
SMILESC[NH+](C)CCNC(=O)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-15(2)8-7-14-13(18)10-3-5-11(6-4-10)19-9-12(16)17/h3-6H,7-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXMHIBYFTOMDQRW-UHFFFAOYSA-N
MW266.30 g/mol
LogP-2.31
Rot. Bonds7

About 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate

2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate (PubChem CID 28762542) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate
PubChem CID28762542
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate
SMILESC[NH+](C)CCNC(=O)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-15(2)8-7-14-13(18)10-3-5-11(6-4-10)19-9-12(16)17/h3-6H,7-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXMHIBYFTOMDQRW-UHFFFAOYSA-N
XLogP-2.31
TPSA82.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-2.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 23705726
2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
CID 6952976
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
lithium 2-(4-methylphenoxy)acetate
CID 19205665
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate?
The IUPAC name of 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate (CID 28762542) is 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate is C[NH+](C)CCNC(=O)c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate?
The InChIKey is XMHIBYFTOMDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(2)8-7-14-13(18)10-3-5-11(6-4-10)19-9-12(16)17/h3-6H,7-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate?
2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate has a molecular weight of 266.30 g/mol, XLogP of -2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate is sourced from PubChem (CID 28762542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).