2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate

C18H18NO5- — CID 7316235

IUPAC2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCc1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C
InChIInChI=1S/C18H19NO5/c1-12-3-6-16(9-13(12)2)23-10-17(20)19-14-4-7-15(8-5-14)24-11-18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyJWNVQBKKKIBMFI-UHFFFAOYSA-M
MW328.34 g/mol
LogP1.45
Rot. Bonds7

About 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate

2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate (PubChem CID 7316235) has the molecular formula C18H18NO5- and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
PubChem CID7316235
Molecular FormulaC18H18NO5-
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCc1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C
InChIInChI=1S/C18H19NO5/c1-12-3-6-16(9-13(12)2)23-10-17(20)19-14-4-7-15(8-5-14)24-11-18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyJWNVQBKKKIBMFI-UHFFFAOYSA-M
XLogP1.45
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
N-(4-butan-2-yloxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 17160586
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The IUPAC name of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate (CID 7316235) is 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The canonical SMILES for 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate is Cc1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C.
What is the InChIKey of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The InChIKey is JWNVQBKKKIBMFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19NO5/c1-12-3-6-16(9-13(12)2)23-10-17(20)19-14-4-7-15(8-5-14)24-11-18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate has a molecular weight of 328.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 7316235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).