N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C16H21NO4 — CID 8777048

IUPACN-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCC2)cc2c1OCCO2
InChIInChI=1S/C16H21NO4/c1-19-13-9-11(10-14-15(13)21-8-7-20-14)16(18)17-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,17,18)
InChIKeyRLYBREXIWDXPSR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.53
Rot. Bonds3

About N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 8777048) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID8777048
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCC2)cc2c1OCCO2
InChIInChI=1S/C16H21NO4/c1-19-13-9-11(10-14-15(13)21-8-7-20-14)16(18)17-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,17,18)
InChIKeyRLYBREXIWDXPSR-UHFFFAOYSA-N
XLogP2.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230148
5-methoxy-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51200423
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9062454
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
N-(2-adamantyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86906952
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119604984
(E)-N-cyclooctyl-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 30453199
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9273653
5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 34748281
5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777520
5-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 35235568

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 8777048) is N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)NC2CCCCC2)cc2c1OCCO2.
What is the InChIKey of N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is RLYBREXIWDXPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-19-13-9-11(10-14-15(13)21-8-7-20-14)16(18)17-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 8777048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).