N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide

C22H28N2O4 — CID 31186182

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-6-27-19-11-9-17(13-20(19)28-7-2)23-21(25)14-24(5)22(26)18-10-8-15(3)12-16(18)4/h8-13H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyPCMWAJIEXRQPQP-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.81
Rot. Bonds8

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide (PubChem CID 31186182) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
PubChem CID31186182
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-6-27-19-11-9-17(13-20(19)28-7-2)23-21(25)14-24(5)22(26)18-10-8-15(3)12-16(18)4/h8-13H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyPCMWAJIEXRQPQP-UHFFFAOYSA-N
XLogP3.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 43010376
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796100
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
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-methylhexanamide
CID 43007494
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 46628154
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 24981774

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide (CID 31186182) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)cc2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
The InChIKey is PCMWAJIEXRQPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-6-27-19-11-9-17(13-20(19)28-7-2)23-21(25)14-24(5)22(26)18-10-8-15(3)12-16(18)4/h8-13H,6-7,14H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide is sourced from PubChem (CID 31186182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).