2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate

C20H29NO5 — CID 30448665

IUPAC2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccc3c(c2)OCCO3)CCOCC1
InChIInChI=1S/C20H29NO5/c1-3-21(4-2)9-12-26-19(22)20(7-10-23-11-8-20)16-5-6-17-18(15-16)25-14-13-24-17/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyDXDQWDMTBLAISW-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.39
Rot. Bonds7

About 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate

2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate (PubChem CID 30448665) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate
PubChem CID30448665
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccc3c(c2)OCCO3)CCOCC1
InChIInChI=1S/C20H29NO5/c1-3-21(4-2)9-12-26-19(22)20(7-10-23-11-8-20)16-5-6-17-18(15-16)25-14-13-24-17/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyDXDQWDMTBLAISW-UHFFFAOYSA-N
XLogP2.39
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
CID 659362
4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride
CID 172907265
2-(diethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
CID 2864468
(2-morpholin-4-yl-2-oxoethyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 26989506
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 24531484
[2-oxo-2-(prop-2-ynylamino)ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 24531539
4-(1,3-benzodioxol-5-yl)oxane-4-carbonyl chloride
CID 172994841
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 24531475
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 46649060

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate (CID 30448665) is 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate is CCN(CC)CCOC(=O)C1(c2ccc3c(c2)OCCO3)CCOCC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate?
The InChIKey is DXDQWDMTBLAISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-3-21(4-2)9-12-26-19(22)20(7-10-23-11-8-20)16-5-6-17-18(15-16)25-14-13-24-17/h5-6,15H,3-4,7-14H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate?
2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate has a molecular weight of 363.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate is sourced from PubChem (CID 30448665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).