N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C16H21ClN2O4 — CID 46673989

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cc3c(cc2Cl)OCCO3)CC(C)O1
InChIInChI=1S/C16H21ClN2O4/c1-10-7-19(8-11(2)23-10)9-16(20)18-13-6-15-14(5-12(13)17)21-3-4-22-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyQYNUESUETMYION-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.16
Rot. Bonds3

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 46673989) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID46673989
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cc3c(cc2Cl)OCCO3)CC(C)O1
InChIInChI=1S/C16H21ClN2O4/c1-10-7-19(8-11(2)23-10)9-16(20)18-13-6-15-14(5-12(13)17)21-3-4-22-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyQYNUESUETMYION-UHFFFAOYSA-N
XLogP2.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide 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-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide
CID 36666249
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18084854
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
2-[4-[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24568587
N-(5-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932176
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
1-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82050829
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
CID 119275630
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840176
2-[(3S)-1-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]piperidin-3-yl]acetamide
CID 95786455
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide
CID 87022066

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 46673989) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2cc3c(cc2Cl)OCCO3)CC(C)O1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is QYNUESUETMYION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-10-7-19(8-11(2)23-10)9-16(20)18-13-6-15-14(5-12(13)17)21-3-4-22-15/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 340.81 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 46673989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).