3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide

C22H26N2O4 — CID 113133094

IUPAC3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc2c(c1)OCCO2)c1cccc(C)c1
InChIInChI=1S/C22H26N2O4/c1-4-23(18-7-5-6-16(2)14-18)22(26)10-11-24(17(3)25)19-8-9-20-21(15-19)28-13-12-27-20/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyIEQRNPACNLFECL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.56
Rot. Bonds6

About 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113133094) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113133094
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc2c(c1)OCCO2)c1cccc(C)c1
InChIInChI=1S/C22H26N2O4/c1-4-23(18-7-5-6-16(2)14-18)22(26)10-11-24(17(3)25)19-8-9-20-21(15-19)28-13-12-27-20/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyIEQRNPACNLFECL-UHFFFAOYSA-N
XLogP3.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(3-methylphenyl)-5-oxopentanamide
CID 110344639
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
CID 113133000
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365
ethyl 2-[acetyl-[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134647
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (CID 113133094) is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(C(C)=O)c1ccc2c(c1)OCCO2)c1cccc(C)c1.
What is the InChIKey of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is IEQRNPACNLFECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-23(18-7-5-6-16(2)14-18)22(26)10-11-24(17(3)25)19-8-9-20-21(15-19)28-13-12-27-20/h5-9,14-15H,4,10-13H2,1-3H3.
What are the key properties of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113133094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).