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

C18H26N2O4 — CID 113178455

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H26N2O4/c1-4-8-19(9-5-2)18(22)13-20(14(3)21)15-6-7-16-17(12-15)24-11-10-23-16/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyCCWBSMBRPKOJQW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.46
Rot. Bonds7

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

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide (PubChem CID 113178455) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide
PubChem CID113178455
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H26N2O4/c1-4-8-19(9-5-2)18(22)13-20(14(3)21)15-6-7-16-17(12-15)24-11-10-23-16/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyCCWBSMBRPKOJQW-UHFFFAOYSA-N
XLogP2.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide
CID 113176880
2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide
CID 113171553
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113178449
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-ethylbutanamide
CID 113063034
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N,N-dipropylbutanamide
CID 110344425
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide (CID 113178455) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C(C)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide?
The InChIKey is CCWBSMBRPKOJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-8-19(9-5-2)18(22)13-20(14(3)21)15-6-7-16-17(12-15)24-11-10-23-16/h6-7,12H,4-5,8-11,13H2,1-3H3.
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide has a molecular weight of 334.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide is sourced from PubChem (CID 113178455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).