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

C19H30N2O4 — CID 43007494

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C19H30N2O4/c1-5-8-9-10-19(23)21(4)14-18(22)20-15-11-12-16(24-6-2)17(13-15)25-7-3/h11-13H,5-10,14H2,1-4H3,(H,20,22)
InChIKeyHTFOSYBWRZREMN-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.46
Rot. Bonds11

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

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide (PubChem CID 43007494) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
PubChem CID43007494
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C19H30N2O4/c1-5-8-9-10-19(23)21(4)14-18(22)20-15-11-12-16(24-6-2)17(13-15)25-7-3/h11-13H,5-10,14H2,1-4H3,(H,20,22)
InChIKeyHTFOSYBWRZREMN-UHFFFAOYSA-N
XLogP3.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbutanamide
CID 24982397
N-[4-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39757435
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
CID 30808188
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
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-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886771
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 43010376
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 31185812

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide (CID 43007494) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide is CCCCCC(=O)N(C)CC(=O)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide?
The InChIKey is HTFOSYBWRZREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-8-9-10-19(23)21(4)14-18(22)20-15-11-12-16(24-6-2)17(13-15)25-7-3/h11-13H,5-10,14H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide has a molecular weight of 350.46 g/mol, XLogP of 3.46, 11 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-methylhexanamide is sourced from PubChem (CID 43007494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).