N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide

C19H23NO3 — CID 2862065

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO3/c21-18(19-9-12-5-13(10-19)7-14(6-12)11-19)20-15-1-2-16-17(8-15)23-4-3-22-16/h1-2,8,12-14H,3-7,9-11H2,(H,20,21)
InChIKeyHRSJGOUDVGJKEQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide (PubChem CID 2862065) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
PubChem CID2862065
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO3/c21-18(19-9-12-5-13(10-19)7-14(6-12)11-19)20-15-1-2-16-17(8-15)23-4-3-22-16/h1-2,8,12-14H,3-7,9-11H2,(H,20,21)
InChIKeyHRSJGOUDVGJKEQ-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyladamantane-1-carboxamide
CID 4146220
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)adamantane-1-carboxamide
CID 110639695
N-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 18561101
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 25340145
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)adamantane-1-carboxamide
CID 110413146
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)adamantane-1-carboxamide
CID 39820071
2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 35808688
3-(adamantane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 4897981
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7514352
2-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)acetamide
CID 2945373
N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide
CID 110728889
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]adamantane-1-carboxamide
CID 30035082

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide (CID 2862065) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide?
The InChIKey is HRSJGOUDVGJKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-18(19-9-12-5-13(10-19)7-14(6-12)11-19)20-15-1-2-16-17(8-15)23-4-3-22-16/h1-2,8,12-14H,3-7,9-11H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2862065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).