2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide

C16H24N2O5 — CID 36673040

IUPAC2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
SMILESCOc1cc(NC(=O)CNC(=O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-16(2,3)15(20)17-9-13(19)18-10-7-11(21-4)14(23-6)12(8-10)22-5/h7-8H,9H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyXWWTYCYRNMUZSQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.81
Rot. Bonds6

About 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide (PubChem CID 36673040) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
PubChem CID36673040
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
SMILESCOc1cc(NC(=O)CNC(=O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-16(2,3)15(20)17-9-13(19)18-10-7-11(21-4)14(23-6)12(8-10)22-5/h7-8H,9H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyXWWTYCYRNMUZSQ-UHFFFAOYSA-N
XLogP1.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide (CID 36673040) is 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide is COc1cc(NC(=O)CNC(=O)C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide?
The InChIKey is XWWTYCYRNMUZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)15(20)17-9-13(19)18-10-7-11(21-4)14(23-6)12(8-10)22-5/h7-8H,9H2,1-6H3,(H,17,20)(H,18,19).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide has a molecular weight of 324.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide is sourced from PubChem (CID 36673040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).