3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide

C14H20N2O3 — CID 65233837

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)(CC(N)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-3-16-14(2,9-13(15)17)10-4-5-11-12(8-10)19-7-6-18-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyAZIXAFTVCQXTPN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.16
Rot. Bonds5

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide (PubChem CID 65233837) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide
PubChem CID65233837
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)(CC(N)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-3-16-14(2,9-13(15)17)10-4-5-11-12(8-10)19-7-6-18-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyAZIXAFTVCQXTPN-UHFFFAOYSA-N
XLogP1.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide
CID 60786055
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)butanoate
CID 65235920
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-3-methylbutanamide
CID 104580505
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoro-3-hydroxybutanoate
CID 62396774
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydrazinylpropan-2-ol
CID 82080622
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-hydroxybutanoic acid
CID 62395413
2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60998760
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]acetic acid
CID 115218133
methyl 2-(cyclopropylmethylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 61001719

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide (CID 65233837) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide is CCNC(C)(CC(N)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide?
The InChIKey is AZIXAFTVCQXTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16-14(2,9-13(15)17)10-4-5-11-12(8-10)19-7-6-18-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,15,17).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide has a molecular weight of 264.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide is sourced from PubChem (CID 65233837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).