3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C15H22N2O3 — CID 4622031

IUPAC3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCCc1cc2c(cc1NC(=O)CCN(C)C)OCCO2
InChIInChI=1S/C15H22N2O3/c1-4-11-9-13-14(20-8-7-19-13)10-12(11)16-15(18)5-6-17(2)3/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyYGBPUGDHIKBYCL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.91
Rot. Bonds5

About 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 4622031) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID4622031
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCCc1cc2c(cc1NC(=O)CCN(C)C)OCCO2
InChIInChI=1S/C15H22N2O3/c1-4-11-9-13-14(20-8-7-19-13)10-12(11)16-15(18)5-6-17(2)3/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyYGBPUGDHIKBYCL-UHFFFAOYSA-N
XLogP1.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(octadecanoylamino)-2,3-dihydro-1,4-benzodioxin-7-yl]methylphosphonic acid
CID 139843340
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide
CID 43548138
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)octanamide
CID 134045874
ethyl 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutanoate
CID 33180296
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-hydroxypentanamide
CID 79200507
methyl 6-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 54105245
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
N-(7-butyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-ylacetamide chloride
CID 44656239
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
CID 110778020
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 155120601

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 4622031) is 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CCc1cc2c(cc1NC(=O)CCN(C)C)OCCO2.
What is the InChIKey of 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is YGBPUGDHIKBYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-11-9-13-14(20-8-7-19-13)10-12(11)16-15(18)5-6-17(2)3/h9-10H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 4622031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).