[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate

C21H24N2O5 — CID 9290641

IUPAC[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H24N2O5/c1-14-8-9-16(10-15(14)2)21(26)28-13-20(25)23(3)12-19(24)22-17-6-5-7-18(11-17)27-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyFDWDXVBQMZKBNJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.57
Rot. Bonds7

About [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 9290641) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID9290641
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H24N2O5/c1-14-8-9-16(10-15(14)2)21(26)28-13-20(25)23(3)12-19(24)22-17-6-5-7-18(11-17)27-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyFDWDXVBQMZKBNJ-UHFFFAOYSA-N
XLogP2.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate with MolForge

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Related Compounds

[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540552
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202484
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847156
N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346554
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26618245
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288047
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 7861654

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 9290641) is [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate is COc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is FDWDXVBQMZKBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-8-9-16(10-15(14)2)21(26)28-13-20(25)23(3)12-19(24)22-17-6-5-7-18(11-17)27-4/h5-11H,12-13H2,1-4H3,(H,22,24).
What are the key properties of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 384.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 9290641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).