2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C17H24N2O4 — CID 4877660

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)Nc2ccc3c(c2)OCCO3)CC(C)O1
InChIInChI=1S/C17H24N2O4/c1-11-9-19(10-12(2)23-11)17(20)13(3)18-14-4-5-15-16(8-14)22-7-6-21-15/h4-5,8,11-13,18H,6-7,9-10H2,1-3H3
InChIKeyYDWDTABFQXFNCH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.89
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 4877660) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID4877660
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)Nc2ccc3c(c2)OCCO3)CC(C)O1
InChIInChI=1S/C17H24N2O4/c1-11-9-19(10-12(2)23-11)17(20)13(3)18-14-4-5-15-16(8-14)22-7-6-21-15/h4-5,8,11-13,18H,6-7,9-10H2,1-3H3
InChIKeyYDWDTABFQXFNCH-UHFFFAOYSA-N
XLogP1.89
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-ylamino)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25360335
(2S)-2-(1,3-benzodioxol-5-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25360336
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
2-(3,4-dimethylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17399590
2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17402101
(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25347499
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoyl]imidazolidin-2-one
CID 31877165
(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-1-one
CID 2533076
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 2577635

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 4877660) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)Nc2ccc3c(c2)OCCO3)CC(C)O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is YDWDTABFQXFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-9-19(10-12(2)23-11)17(20)13(3)18-14-4-5-15-16(8-14)22-7-6-21-15/h4-5,8,11-13,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 320.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 4877660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).