2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid

C12H15ClN2O4 — CID 79463759

IUPAC2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESCc1cccc(Cl)c1NC(=O)NCCOCC(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-8-3-2-4-9(13)11(8)15-12(18)14-5-6-19-7-10(16)17/h2-4H,5-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyBLUKLGDIPNZGGO-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463759) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463759
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESCc1cccc(Cl)c1NC(=O)NCCOCC(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-8-3-2-4-9(13)11(8)15-12(18)14-5-6-19-7-10(16)17/h2-4H,5-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyBLUKLGDIPNZGGO-UHFFFAOYSA-N
XLogP1.87
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic 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-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463433
4-[(2-chloro-6-methylphenyl)carbamoylamino]butanoic acid
CID 66252746
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
5-[(2-chloro-6-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686781
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
CID 21153854
1-(2-chloro-6-methylphenyl)-3-[3-(dimethylamino)propyl]urea;hydrochloride
CID 3060919
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463997
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
CID 79463656

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid (CID 79463759) is 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid is Cc1cccc(Cl)c1NC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is BLUKLGDIPNZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-8-3-2-4-9(13)11(8)15-12(18)14-5-6-19-7-10(16)17/h2-4H,5-7H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 286.72 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).