N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide

C16H22N2O4 — CID 119690248

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CNCCO1
InChIInChI=1S/C16H22N2O4/c1-2-18(16(19)8-13-9-17-5-6-20-13)10-12-3-4-14-15(7-12)22-11-21-14/h3-4,7,13,17H,2,5-6,8-11H2,1H3
InChIKeyXJQYGVIBEKSURD-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.14
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide (PubChem CID 119690248) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide
PubChem CID119690248
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CNCCO1
InChIInChI=1S/C16H22N2O4/c1-2-18(16(19)8-13-9-17-5-6-20-13)10-12-3-4-14-15(7-12)22-11-21-14/h3-4,7,13,17H,2,5-6,8-11H2,1H3
InChIKeyXJQYGVIBEKSURD-UHFFFAOYSA-N
XLogP1.14
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-morpholin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 66427854
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
N-benzyl-2-morpholin-2-yl-N-propylacetamide
CID 66433391
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458
N-(cyclopropylmethyl)-N-ethyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119784637
2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573207
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 78982492
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide (CID 119690248) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CNCCO1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide?
The InChIKey is XJQYGVIBEKSURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-18(16(19)8-13-9-17-5-6-20-13)10-12-3-4-14-15(7-12)22-11-21-14/h3-4,7,13,17H,2,5-6,8-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide has a molecular weight of 306.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide is sourced from PubChem (CID 119690248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).