N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide

C25H32N2O5 — CID 30808188

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(CC)cc2)cc1OCC
InChIInChI=1S/C25H32N2O5/c1-5-18-8-10-19(11-9-18)21(28)13-15-25(30)27(4)17-24(29)26-20-12-14-22(31-6-2)23(16-20)32-7-3/h8-12,14,16H,5-7,13,15,17H2,1-4H3,(H,26,29)
InChIKeySXBTVKZLKGIVKI-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.11
Rot. Bonds12

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide (PubChem CID 30808188) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
PubChem CID30808188
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(CC)cc2)cc1OCC
InChIInChI=1S/C25H32N2O5/c1-5-18-8-10-19(11-9-18)21(28)13-15-25(30)27(4)17-24(29)26-20-12-14-22(31-6-2)23(16-20)32-7-3/h8-12,14,16H,5-7,13,15,17H2,1-4H3,(H,26,29)
InChIKeySXBTVKZLKGIVKI-UHFFFAOYSA-N
XLogP4.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9441183
N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39757435
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
4-(4-bromophenoxy)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbutanamide
CID 24982397
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 31186118
4-cyano-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 8501398
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 31185812
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 46628154
N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 119419435

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide (CID 30808188) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide is CCOc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(CC)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide?
The InChIKey is SXBTVKZLKGIVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-5-18-8-10-19(11-9-18)21(28)13-15-25(30)27(4)17-24(29)26-20-12-14-22(31-6-2)23(16-20)32-7-3/h8-12,14,16H,5-7,13,15,17H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide has a molecular weight of 440.54 g/mol, XLogP of 4.11, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 30808188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).