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

C15H20N2O4 — CID 113063025

IUPACN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O4/c1-3-15(19)16-6-7-17(11(2)18)12-4-5-13-14(10-12)21-9-8-20-13/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyOVHPSWFUMXLBDC-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.34
Rot. Bonds5

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

N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide (PubChem CID 113063025) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
PubChem CID113063025
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
SMILESCCC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O4/c1-3-15(19)16-6-7-17(11(2)18)12-4-5-13-14(10-12)21-9-8-20-13/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyOVHPSWFUMXLBDC-UHFFFAOYSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-ethylbutanamide
CID 113063034
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
CID 113063038
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-methoxypropyl)propanamide
CID 113132984
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113063065
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113062967
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
CID 113062992
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide (CID 113063025) is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide is CCC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide?
The InChIKey is OVHPSWFUMXLBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-15(19)16-6-7-17(11(2)18)12-4-5-13-14(10-12)21-9-8-20-13/h4-5,10H,3,6-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide?
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide has a molecular weight of 292.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide is sourced from PubChem (CID 113063025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).