2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid

C18H21N3O5 — CID 639703

IUPAC2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
SMILESCOc1cc(N)ccc1NC(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H21N3O5/c1-18(2,16(22)23)26-13-7-5-12(6-8-13)20-17(24)21-14-9-4-11(19)10-15(14)25-3/h4-10H,19H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyWGTDQUCOSOGZFY-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.16
Rot. Bonds6

About 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid

2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid (PubChem CID 639703) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
PubChem CID639703
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
SMILESCOc1cc(N)ccc1NC(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H21N3O5/c1-18(2,16(22)23)26-13-7-5-12(6-8-13)20-17(24)21-14-9-4-11(19)10-15(14)25-3/h4-10H,19H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyWGTDQUCOSOGZFY-UHFFFAOYSA-N
XLogP3.16
TPSA122.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic 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-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 22924113
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 54852668
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
CID 43554951
N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 50878617
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid (CID 639703) is 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid is COc1cc(N)ccc1NC(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
The InChIKey is WGTDQUCOSOGZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-18(2,16(22)23)26-13-7-5-12(6-8-13)20-17(24)21-14-9-4-11(19)10-15(14)25-3/h4-10H,19H2,1-3H3,(H,22,23)(H2,20,21,24).
What are the key properties of 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid has a molecular weight of 359.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 639703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).