5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C20H21NO4 — CID 8777520

IUPAC5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc2c1OCCO2
InChIInChI=1S/C20H21NO4/c1-23-17-11-14(12-18-19(17)25-10-9-24-18)20(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyZUGASXLTZKFPOA-MRXNPFEDSA-N
MW339.39 g/mol
LogP3.27
Rot. Bonds3

About 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 8777520) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID8777520
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc2c1OCCO2
InChIInChI=1S/C20H21NO4/c1-23-17-11-14(12-18-19(17)25-10-9-24-18)20(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyZUGASXLTZKFPOA-MRXNPFEDSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51247483
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2671208
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
5-methoxy-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51200423
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 42887665
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 38016871
4-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230148

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 8777520) is 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is ZUGASXLTZKFPOA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-17-11-14(12-18-19(17)25-10-9-24-18)20(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 8777520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).