2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide

C14H19NO4 — CID 45147826

IUPAC2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO4/c1-4-15(5-2)14(16)10(3)19-11-6-7-12-13(8-11)18-9-17-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyJIPAYKMDRDCKLY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.05
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide

2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide (PubChem CID 45147826) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
PubChem CID45147826
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO4/c1-4-15(5-2)14(16)10(3)19-11-6-7-12-13(8-11)18-9-17-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyJIPAYKMDRDCKLY-UHFFFAOYSA-N
XLogP2.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45147871
(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
CID 93105125
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
2-(1,3-benzodioxol-5-yloxy)-1-(4-fluorophenyl)propan-1-one
CID 43413295
2-(1,3-benzodioxol-5-yloxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43799201
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 95209370
1,3-benzodioxol-5-yl (2R)-2-phenoxypropanoate
CID 8766447
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116222
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 42116226
1-[[(2R)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-ethylthiourea
CID 40654746

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide (CID 45147826) is 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide?
The InChIKey is JIPAYKMDRDCKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15(5-2)14(16)10(3)19-11-6-7-12-13(8-11)18-9-17-12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide?
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide is sourced from PubChem (CID 45147826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).