(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide

C17H26N2O3 — CID 101230152

IUPAC(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Oc2ccccc2O[C@H]1N(CC)CC
InChIInChI=1S/C17H26N2O3/c1-5-18(6-2)16(20)15-17(19(7-3)8-4)22-14-12-10-9-11-13(14)21-15/h9-12,15,17H,5-8H2,1-4H3/t15-,17+/m0/s1
InChIKeyQVIXRXXXSSPXKH-DOTOQJQBSA-N
MW306.41 g/mol
LogP2.36
Rot. Bonds6

About (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide

(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (PubChem CID 101230152) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
PubChem CID101230152
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1Oc2ccccc2O[C@H]1N(CC)CC
InChIInChI=1S/C17H26N2O3/c1-5-18(6-2)16(20)15-17(19(7-3)8-4)22-14-12-10-9-11-13(14)21-15/h9-12,15,17H,5-8H2,1-4H3/t15-,17+/m0/s1
InChIKeyQVIXRXXXSSPXKH-DOTOQJQBSA-N
XLogP2.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60703627
(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480
(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
CID 56601477
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide
CID 43167892
(2S)-N,N-diethyl-4-methyl-1,3-benzodioxole-2-carboxamide
CID 125479578
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-hydroxybenzamide
CID 112791959
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide;hydrochloride
CID 119267933
N-ethyl-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56741638
(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 10591937
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 60718700
(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8850747

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The IUPAC name of (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CID 101230152) is (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is CCN(CC)C(=O)[C@@H]1Oc2ccccc2O[C@H]1N(CC)CC.
What is the InChIKey of (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The InChIKey is QVIXRXXXSSPXKH-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-18(6-2)16(20)15-17(19(7-3)8-4)22-14-12-10-9-11-13(14)21-15/h9-12,15,17H,5-8H2,1-4H3/t15-,17+/m0/s1.
What are the key properties of (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is sourced from PubChem (CID 101230152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).