1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone

C14H17NO4 — CID 43070650

IUPAC1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C14H17NO4/c1-2-11-8-15(5-6-17-11)14(16)10-3-4-12-13(7-10)19-9-18-12/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeySGIBJOARBNLGEA-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.67
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone

1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone (PubChem CID 43070650) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
PubChem CID43070650
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C14H17NO4/c1-2-11-8-15(5-6-17-11)14(16)10-3-4-12-13(7-10)19-9-18-12/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeySGIBJOARBNLGEA-UHFFFAOYSA-N
XLogP1.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
1,3-benzodioxol-5-yl-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861471
1,3-benzodioxol-5-yl-[2-[[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 46059832
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone
CID 38001053
1,3-benzodioxol-5-yl-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506350
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone (CID 43070650) is 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2ccc3c(c2)OCO3)CCO1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is SGIBJOARBNLGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-11-8-15(5-6-17-11)14(16)10-3-4-12-13(7-10)19-9-18-12/h3-4,7,11H,2,5-6,8-9H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone?
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 263.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43070650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).