(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide

C17H26N2O3 — CID 7311214

IUPAC(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(CC)CC
InChIInChI=1S/C17H26N2O3/c1-4-7-14(19(5-2)6-3)17(20)18-13-8-9-15-16(12-13)22-11-10-21-15/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyQPTQTYNFZDLPTF-CQSZACIVSA-N
MW306.41 g/mol
LogP2.91
Rot. Bonds7

About (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide

(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide (PubChem CID 7311214) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
PubChem CID7311214
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(CC)CC
InChIInChI=1S/C17H26N2O3/c1-4-7-14(19(5-2)6-3)17(20)18-13-8-9-15-16(12-13)22-11-10-21-15/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyQPTQTYNFZDLPTF-CQSZACIVSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide
CID 4621616
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopentan-2-yl]-diethylazanium
CID 7311213
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopentan-2-yl]-diethylazanium chloride
CID 21228730
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-pentan-2-yl]thiourea
CID 92534613
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylbutanamide
CID 43101935
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116536627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
The IUPAC name of (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide (CID 7311214) is (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide.
What is the SMILES notation for (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
The canonical SMILES for (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide is CCC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(CC)CC.
What is the InChIKey of (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
The InChIKey is QPTQTYNFZDLPTF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-7-14(19(5-2)6-3)17(20)18-13-8-9-15-16(12-13)22-11-10-21-15/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide?
(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide is sourced from PubChem (CID 7311214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).