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

C19H21NO5 — CID 894367

IUPACmethyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H21NO5/c1-13-4-9-17(14(2)10-13)25-11-18(21)20-15-5-7-16(8-6-15)24-12-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyKUKWDPALRDNYHH-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.87
Rot. Bonds7

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

methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate (PubChem CID 894367) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
PubChem CID894367
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H21NO5/c1-13-4-9-17(14(2)10-13)25-11-18(21)20-15-5-7-16(8-6-15)24-12-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyKUKWDPALRDNYHH-UHFFFAOYSA-N
XLogP2.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
1-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
CID 5157569
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 39860915
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780793
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate (CID 894367) is methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1.
What is the InChIKey of methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
The InChIKey is KUKWDPALRDNYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13-4-9-17(14(2)10-13)25-11-18(21)20-15-5-7-16(8-6-15)24-12-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate?
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate has a molecular weight of 343.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 894367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).