5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C18H25ClN2O4 — CID 55631610

IUPAC5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCC1CN(CCCNC(=O)c2cc(Cl)c3c(c2)OCCO3)CC(C)O1
InChIInChI=1S/C18H25ClN2O4/c1-12-10-21(11-13(2)25-12)5-3-4-20-18(22)14-8-15(19)17-16(9-14)23-6-7-24-17/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,22)
InChIKeyANVMXCKAIBQITH-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.34
Rot. Bonds5

About 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55631610) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID55631610
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCC1CN(CCCNC(=O)c2cc(Cl)c3c(c2)OCCO3)CC(C)O1
InChIInChI=1S/C18H25ClN2O4/c1-12-10-21(11-13(2)25-12)5-3-4-20-18(22)14-8-15(19)17-16(9-14)23-6-7-24-17/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,22)
InChIKeyANVMXCKAIBQITH-UHFFFAOYSA-N
XLogP2.34
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 51931357
7-chloro-N-[4-(4-methylpiperidin-1-yl)butyl]-1,3-benzodioxole-5-carboxamide
CID 55716363
5-chloro-N-(3-hydroxypentyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 115703757
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 35418335
7-chloro-N-(3-piperazin-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 119394256
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 42953043
5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953201
5-chloro-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953202
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
6-chloro-N-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 29198594

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55631610) is 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CC1CN(CCCNC(=O)c2cc(Cl)c3c(c2)OCCO3)CC(C)O1.
What is the InChIKey of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is ANVMXCKAIBQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-12-10-21(11-13(2)25-12)5-3-4-20-18(22)14-8-15(19)17-16(9-14)23-6-7-24-17/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,22).
What are the key properties of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55631610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).