2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide

C16H21ClN2O4 — CID 49094174

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1
InChIInChI=1S/C16H21ClN2O4/c1-19-2-3-21-12(10-19)9-18-15(20)8-11-6-13(17)16-14(7-11)22-4-5-23-16/h6-7,12H,2-5,8-10H2,1H3,(H,18,20)
InChIKeyZFYMXTPZCQAKLV-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.10
Rot. Bonds4

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide (PubChem CID 49094174) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
PubChem CID49094174
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1
InChIInChI=1S/C16H21ClN2O4/c1-19-2-3-21-12(10-19)9-18-15(20)8-11-6-13(17)16-14(7-11)22-4-5-23-16/h6-7,12H,2-5,8-10H2,1H3,(H,18,20)
InChIKeyZFYMXTPZCQAKLV-UHFFFAOYSA-N
XLogP1.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 95271990
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
N-(2-acetamidoethyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 31947484
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 35418335
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpentyl)acetamide
CID 32628858
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 55742143
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119506485
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119544338
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 51276808

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide (CID 49094174) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide is CN1CCOC(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The InChIKey is ZFYMXTPZCQAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-19-2-3-21-12(10-19)9-18-15(20)8-11-6-13(17)16-14(7-11)22-4-5-23-16/h6-7,12H,2-5,8-10H2,1H3,(H,18,20).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 49094174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).