2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid

C13H17NO5 — CID 114243031

IUPAC2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
SMILESCN(CCOCCO)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H17NO5/c1-14(6-8-19-9-7-15)12(16)10-4-2-3-5-11(10)13(17)18/h2-5,15H,6-9H2,1H3,(H,17,18)
InChIKeyYVRJZDWKJJDFLK-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.47
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid

2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid (PubChem CID 114243031) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
PubChem CID114243031
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
SMILESCN(CCOCCO)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H17NO5/c1-14(6-8-19-9-7-15)12(16)10-4-2-3-5-11(10)13(17)18/h2-5,15H,6-9H2,1H3,(H,17,18)
InChIKeyYVRJZDWKJJDFLK-UHFFFAOYSA-N
XLogP0.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid 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-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
2-acetyl-3-oxobutanoic acid;2-(2-hydroxyethoxy)ethanol;phthalic acid
CID 174610219
2-hydroxybenzoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 70560732
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 114243378
2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
CID 61070339
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid (CID 114243031) is 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid is CN(CCOCCO)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid?
The InChIKey is YVRJZDWKJJDFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-14(6-8-19-9-7-15)12(16)10-4-2-3-5-11(10)13(17)18/h2-5,15H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid?
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 114243031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).