(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide

C15H18N2O5 — CID 124997751

IUPAC(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(C(=O)c2cccc3c2OCCO3)CCO1
InChIInChI=1S/C15H18N2O5/c1-15(14(16)19)9-17(5-6-22-15)13(18)10-3-2-4-11-12(10)21-8-7-20-11/h2-4H,5-9H2,1H3,(H2,16,19)/t15-/m1/s1
InChIKeyRCRGZUDCKIDQDS-OAHLLOKOSA-N
MW306.32 g/mol
LogP0.17
Rot. Bonds2

About (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide

(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide (PubChem CID 124997751) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide
PubChem CID124997751
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide
SMILESC[C@]1(C(N)=O)CN(C(=O)c2cccc3c2OCCO3)CCO1
InChIInChI=1S/C15H18N2O5/c1-15(14(16)19)9-17(5-6-22-15)13(18)10-3-2-4-11-12(10)21-8-7-20-11/h2-4H,5-9H2,1H3,(H2,16,19)/t15-/m1/s1
InChIKeyRCRGZUDCKIDQDS-OAHLLOKOSA-N
XLogP0.17
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506782
(2R)-4-(2-methoxypyridine-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 125015588
1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258529
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
CID 95839705
4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide
CID 127247682
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
[3-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone;hydrochloride
CID 119593436
2-[acetyl-[(4R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azepan-4-yl]amino]acetic acid
CID 129341908
(2R)-4-[1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 125002939
2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 91788683
2-methyl-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine-2-carboxamide
CID 110268384

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide (CID 124997751) is (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide is C[C@]1(C(N)=O)CN(C(=O)c2cccc3c2OCCO3)CCO1.
What is the InChIKey of (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide?
The InChIKey is RCRGZUDCKIDQDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-15(14(16)19)9-17(5-6-22-15)13(18)10-3-2-4-11-12(10)21-8-7-20-11/h2-4H,5-9H2,1H3,(H2,16,19)/t15-/m1/s1.
What are the key properties of (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide?
(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124997751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).