methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate

C19H21NO4 — CID 7695217

IUPACmethyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-9-17(14(2)10-13)20-18(21)12-24-16-7-5-15(6-8-16)11-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyJLEZGZISMQWVEC-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.04
Rot. Bonds6

About methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate

methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate (PubChem CID 7695217) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate
PubChem CID7695217
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-9-17(14(2)10-13)20-18(21)12-24-16-7-5-15(6-8-16)11-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyJLEZGZISMQWVEC-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093188
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 9252593
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate (CID 7695217) is methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate?
The InChIKey is JLEZGZISMQWVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-4-9-17(14(2)10-13)20-18(21)12-24-16-7-5-15(6-8-16)11-19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate?
methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate has a molecular weight of 327.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 7695217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).