2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid

C21H25NO6 — CID 119181815

IUPAC2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C)CCOc2cccc(C)c2)ccc1OCC(=O)O
InChIInChI=1S/C21H25NO6/c1-4-26-19-13-16(8-9-18(19)28-14-20(23)24)21(25)22(3)10-11-27-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,24)
InChIKeyWOLIIJAIXZWGIR-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.01
Rot. Bonds10

About 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid (PubChem CID 119181815) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
PubChem CID119181815
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C)CCOc2cccc(C)c2)ccc1OCC(=O)O
InChIInChI=1S/C21H25NO6/c1-4-26-19-13-16(8-9-18(19)28-14-20(23)24)21(25)22(3)10-11-27-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,24)
InChIKeyWOLIIJAIXZWGIR-UHFFFAOYSA-N
XLogP3.01
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
CID 119179457
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide
CID 26980273
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid (CID 119181815) is 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N(C)CCOc2cccc(C)c2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is WOLIIJAIXZWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-4-26-19-13-16(8-9-18(19)28-14-20(23)24)21(25)22(3)10-11-27-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 387.43 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119181815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).