N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide

C15H22N2O4 — CID 32736215

IUPACN-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)CNC(=O)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)14(19)16-9-13(18)17-11-7-6-10(20-4)8-12(11)21-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyJGPPUVYCTDEFGW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 32736215) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID32736215
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)CNC(=O)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)14(19)16-9-13(18)17-11-7-6-10(20-4)8-12(11)21-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyJGPPUVYCTDEFGW-UHFFFAOYSA-N
XLogP1.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113152964
4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
CID 27253344
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082798
methyl 4-chloro-3-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009549
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 32736215) is N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide is COc1ccc(NC(=O)CNC(=O)C(C)(C)C)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is JGPPUVYCTDEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)14(19)16-9-13(18)17-11-7-6-10(20-4)8-12(11)21-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 294.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 32736215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).