2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide

C16H24N2O3 — CID 43424955

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-4-18(5-2)16(19)12(3)17-11-13-6-7-14-15(10-13)21-9-8-20-14/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyWVEFEKHTYVQANK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.80
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide (PubChem CID 43424955) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
PubChem CID43424955
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-4-18(5-2)16(19)12(3)17-11-13-6-7-14-15(10-13)21-9-8-20-14/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyWVEFEKHTYVQANK-UHFFFAOYSA-N
XLogP1.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
CID 61498261
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-N,N-dimethylpropanamide
CID 60871279
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylbutanoic acid
CID 120510601
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
ethyl (2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoate
CID 94214206
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 60925597
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
CID 115672887
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789766

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide (CID 43424955) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide?
The InChIKey is WVEFEKHTYVQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(5-2)16(19)12(3)17-11-13-6-7-14-15(10-13)21-9-8-20-14/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 43424955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).