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

C22H28N2O4 — CID 43010376

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(C)c2C)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-6-27-19-12-11-17(13-20(19)28-7-2)23-21(25)14-24(5)22(26)18-10-8-9-15(3)16(18)4/h8-13H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyNEIBOTCEHMTDFK-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.81
Rot. Bonds8

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

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide (PubChem CID 43010376) 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,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
PubChem CID43010376
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(C)c2C)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-6-27-19-12-11-17(13-20(19)28-7-2)23-21(25)14-24(5)22(26)18-10-8-9-15(3)16(18)4/h8-13H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyNEIBOTCEHMTDFK-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,2,4-trimethylbenzamide
CID 31186182
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
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-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 32755216
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
3,4-diethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835265

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide (CID 43010376) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(C)c2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide?
The InChIKey is NEIBOTCEHMTDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-6-27-19-12-11-17(13-20(19)28-7-2)23-21(25)14-24(5)22(26)18-10-8-9-15(3)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,2,3-trimethylbenzamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-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,2,3-trimethylbenzamide is sourced from PubChem (CID 43010376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).