N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

C25H32N2O6 — CID 24818207

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC3CCCO3)cc2)cc1OCC
InChIInChI=1S/C25H32N2O6/c1-4-30-22-13-10-19(15-23(22)31-5-2)26-24(28)16-27(3)25(29)18-8-11-20(12-9-18)33-17-21-7-6-14-32-21/h8-13,15,21H,4-7,14,16-17H2,1-3H3,(H,26,28)
InChIKeyDJKXZOODBIXUMN-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.75
Rot. Bonds11

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 24818207) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID24818207
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC3CCCO3)cc2)cc1OCC
InChIInChI=1S/C25H32N2O6/c1-4-30-22-13-10-19(15-23(22)31-5-2)26-24(28)16-27(3)25(29)18-8-11-20(12-9-18)33-17-21-7-6-14-32-21/h8-13,15,21H,4-7,14,16-17H2,1-3H3,(H,26,28)
InChIKeyDJKXZOODBIXUMN-UHFFFAOYSA-N
XLogP3.75
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 9417466
4-cyano-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 8501398
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011182
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 46628154
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethoxy)benzamide
CID 42924031
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 42939871
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (CID 24818207) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC3CCCO3)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is DJKXZOODBIXUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-4-30-22-13-10-19(15-23(22)31-5-2)26-24(28)16-27(3)25(29)18-8-11-20(12-9-18)33-17-21-7-6-14-32-21/h8-13,15,21H,4-7,14,16-17H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 456.54 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 24818207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).