N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide

C16H22N2O4 — CID 646695

IUPACN-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccc3c(c2)OCO3)CC(C)O1
InChIInChI=1S/C16H22N2O4/c1-11-8-18(9-12(2)22-11)6-5-16(19)17-13-3-4-14-15(7-13)21-10-20-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,17,19)
InChIKeyUGBAZHHPSBYSGZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.85
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide (PubChem CID 646695) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
PubChem CID646695
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccc3c(c2)OCO3)CC(C)O1
InChIInChI=1S/C16H22N2O4/c1-11-8-18(9-12(2)22-11)6-5-16(19)17-13-3-4-14-15(7-13)21-10-20-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,17,19)
InChIKeyUGBAZHHPSBYSGZ-UHFFFAOYSA-N
XLogP1.85
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
Ethyl benzo[d][1,3]dioxol-5-ylglycinate
CID 745625
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 835559
1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
5-((2-Hydroxyethyl)amino)-1,3-benzodioxol
CID 175593
1,3-Benzodioxol-5-amine, N-ethyl-
CID 118365
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(3,4-dimethoxyphenyl)tetrahydrofuran-2-carboxamide
CID 2970691
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
CID 837107
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
1-(1,3-Benzodioxol-5-yl)-3-(2-ethoxyphenyl)urea
CID 970394
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 2086142

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide (CID 646695) is N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide is CC1CN(CCC(=O)Nc2ccc3c(c2)OCO3)CC(C)O1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide?
The InChIKey is UGBAZHHPSBYSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-8-18(9-12(2)22-11)6-5-16(19)17-13-3-4-14-15(7-13)21-10-20-14/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide has a molecular weight of 306.36 g/mol, XLogP of 1.85, 4 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-yl)-3-(2,6-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 646695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).