[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

C24H31NO6 — CID 8873043

IUPAC[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)N(C)Cc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C24H31NO6/c1-16-7-9-19(17(2)11-16)14-25(3)22(26)15-31-23(27)10-8-18-12-20(28-4)24(30-6)21(13-18)29-5/h7,9,11-13H,8,10,14-15H2,1-6H3
InChIKeyLTEIAGAKUXSHJW-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.46
Rot. Bonds10

About [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 8873043) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID8873043
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)N(C)Cc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C24H31NO6/c1-16-7-9-19(17(2)11-16)14-25(3)22(26)15-31-23(27)10-8-18-12-20(28-4)24(30-6)21(13-18)29-5/h7,9,11-13H,8,10,14-15H2,1-6H3
InChIKeyLTEIAGAKUXSHJW-UHFFFAOYSA-N
XLogP3.46
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8872312
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7604312
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604546
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8870166
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8935513
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9228067
2-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014357
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 34653525
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 8945248
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7603617
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-bromobenzoate
CID 18196850

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 8873043) is [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is COc1cc(CCC(=O)OCC(=O)N(C)Cc2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is LTEIAGAKUXSHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO6/c1-16-7-9-19(17(2)11-16)14-25(3)22(26)15-31-23(27)10-8-18-12-20(28-4)24(30-6)21(13-18)29-5/h7,9,11-13H,8,10,14-15H2,1-6H3.
What are the key properties of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 429.51 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 8873043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).