5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C15H19NO5 — CID 34748281

IUPAC5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCCO2)cc2c1OCCO2
InChIInChI=1S/C15H19NO5/c1-18-12-7-10(8-13-14(12)21-6-5-20-13)15(17)16-9-11-3-2-4-19-11/h7-8,11H,2-6,9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyVLDIUXSGUZRJGM-NSHDSACASA-N
MW293.32 g/mol
LogP1.38
Rot. Bonds4

About 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 34748281) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID34748281
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCCO2)cc2c1OCCO2
InChIInChI=1S/C15H19NO5/c1-18-12-7-10(8-13-14(12)21-6-5-20-13)15(17)16-9-11-3-2-4-19-11/h7-8,11H,2-6,9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyVLDIUXSGUZRJGM-NSHDSACASA-N
XLogP1.38
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide with MolForge

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Related Compounds

5-methoxy-N-[[(3S)-thiolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 100737677
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
1-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9410249
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
5-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 35235568
N-[2-(ethylamino)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119509241
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
5-methoxy-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51200423
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 18160322
5-methoxy-N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119537870

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 34748281) is 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)NC[C@@H]2CCCO2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is VLDIUXSGUZRJGM-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO5/c1-18-12-7-10(8-13-14(12)21-6-5-20-13)15(17)16-9-11-3-2-4-19-11/h7-8,11H,2-6,9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 34748281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).