ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate

C15H21NO5 — CID 28538834

IUPACethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H21NO5/c1-5-21-15(18)7-6-14(17)16-11-9-13(20-4)12(19-3)8-10(11)2/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyCDFMHSLUZMBLTJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.29
Rot. Bonds7

About ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate

ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate (PubChem CID 28538834) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
PubChem CID28538834
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Nameethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H21NO5/c1-5-21-15(18)7-6-14(17)16-11-9-13(20-4)12(19-3)8-10(11)2/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyCDFMHSLUZMBLTJ-UHFFFAOYSA-N
XLogP2.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide
CID 62839712
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
N-(4,5-dimethoxy-2-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7751153
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838138
N-(2,5-dimethoxy-4-methylphenyl)-3-sulfanylpropanamide
CID 115167651

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate (CID 28538834) is ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1cc(OC)c(OC)cc1C.
What is the InChIKey of ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate?
The InChIKey is CDFMHSLUZMBLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-21-15(18)7-6-14(17)16-11-9-13(20-4)12(19-3)8-10(11)2/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate?
ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate has a molecular weight of 295.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate is sourced from PubChem (CID 28538834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).