2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid

C21H26N2O6 — CID 22924113

IUPAC2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(NC(=O)NCCc2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C21H26N2O6/c1-21(2,19(24)25)29-15-7-5-14(6-8-15)11-12-22-20(26)23-17-10-9-16(27-3)13-18(17)28-4/h5-10,13H,11-12H2,1-4H3,(H,24,25)(H2,22,23,26)
InChIKeyRWEFQEAVUVVSTQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.31
Rot. Bonds9

About 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid

2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid (PubChem CID 22924113) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
PubChem CID22924113
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(NC(=O)NCCc2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C21H26N2O6/c1-21(2,19(24)25)29-15-7-5-14(6-8-15)11-12-22-20(26)23-17-10-9-16(27-3)13-18(17)28-4/h5-10,13H,11-12H2,1-4H3,(H,24,25)(H2,22,23,26)
InChIKeyRWEFQEAVUVVSTQ-UHFFFAOYSA-N
XLogP3.31
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 10619640
4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 87384431
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24752174
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
2-[4-[2-[(2,4-dimethoxyphenyl)carbamoyl-(2-phenoxypropyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 102586313
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
2-[4-[(4-amino-2-methoxyphenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
CID 639703
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid (CID 22924113) is 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid is COc1ccc(NC(=O)NCCc2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1.
What is the InChIKey of 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is RWEFQEAVUVVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-21(2,19(24)25)29-15-7-5-14(6-8-15)11-12-22-20(26)23-17-10-9-16(27-3)13-18(17)28-4/h5-10,13H,11-12H2,1-4H3,(H,24,25)(H2,22,23,26).
What are the key properties of 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid?
2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 402.45 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 22924113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).