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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).