2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid

C13H17ClN2O5 — CID 79463997

IUPAC2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCCOCC(=O)O
InChIInChI=1S/C13H17ClN2O5/c1-8-5-10(11(20-2)6-9(8)14)16-13(19)15-3-4-21-7-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyYWEKHLWDOXXHEV-UHFFFAOYSA-N
MW316.74 g/mol
LogP1.88
Rot. Bonds7

About 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463997) has the molecular formula C13H17ClN2O5 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463997
Molecular FormulaC13H17ClN2O5
Molecular Weight316.74 g/mol
Exact Mass316.08
IUPAC Name2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCCOCC(=O)O
InChIInChI=1S/C13H17ClN2O5/c1-8-5-10(11(20-2)6-9(8)14)16-13(19)15-3-4-21-7-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyYWEKHLWDOXXHEV-UHFFFAOYSA-N
XLogP1.88
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(4-chloro-2-methoxy-5-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

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972651
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524368
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972492
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085869
2-[2-[(2,6-dichloro-3-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463433
3-[(2-amino-2-phenylacetyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119341638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid (CID 79463997) is 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid is COc1cc(Cl)c(C)cc1NC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is YWEKHLWDOXXHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O5/c1-8-5-10(11(20-2)6-9(8)14)16-13(19)15-3-4-21-7-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 316.74 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).