methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate

C16H24N2O3 — CID 62012302

IUPACmethyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H24N2O3/c1-12-7-8-14(13(2)10-12)17-15(19)11-18(3)9-5-6-16(20)21-4/h7-8,10H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyOGDPORAKLMAZQI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds7

About methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate

methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate (PubChem CID 62012302) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate
PubChem CID62012302
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H24N2O3/c1-12-7-8-14(13(2)10-12)17-15(19)11-18(3)9-5-6-16(20)21-4/h7-8,10H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyOGDPORAKLMAZQI-UHFFFAOYSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62010900
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 60507371
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8712055
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8756798
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785524
methyl 4-[(2,4-dimethylphenyl)sulfonyl-methylamino]butanoate
CID 60715387
methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012884
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
methyl 7-[(2,4-dimethylphenyl)carbamoylamino]heptanoate
CID 75526025
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
methyl 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]butanoate
CID 62012696

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate (CID 62012302) is methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate is COC(=O)CCCN(C)CC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate?
The InChIKey is OGDPORAKLMAZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-7-8-14(13(2)10-12)17-15(19)11-18(3)9-5-6-16(20)21-4/h7-8,10H,5-6,9,11H2,1-4H3,(H,17,19).
What are the key properties of methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate?
methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate has a molecular weight of 292.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate is sourced from PubChem (CID 62012302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).