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

C20H25NO3 — CID 42908434

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO3/c22-19(20-8-13-5-14(9-20)7-15(6-13)10-20)21-11-16-12-23-17-3-1-2-4-18(17)24-16/h1-4,13-16H,5-12H2,(H,21,22)
InChIKeyKORCRIISOQHBMI-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.16
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide (PubChem CID 42908434) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide
PubChem CID42908434
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO3/c22-19(20-8-13-5-14(9-20)7-15(6-13)10-20)21-11-16-12-23-17-3-1-2-4-18(17)24-16/h1-4,13-16H,5-12H2,(H,21,22)
InChIKeyKORCRIISOQHBMI-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]adamantane-1-carboxamide
CID 51166811
(5S,7R)-3-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]adamantane-1-carboxamide
CID 7758617
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 55357618
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 7434274
(5R,7R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98389843
1-(adamantane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42893037
N-[2-[(5-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]adamantane-1-carboxamide
CID 15293104
N-[2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]ethyl]adamantane-1-carboxamide;hydrochloride
CID 67644109
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 790018
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopenta-2,4-diene-1-carboxamide
CID 23994011
2-[(5S,7R)-3-bromo-1-adamantyl]-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758631
2-[(5S,7R)-3-bromo-1-adamantyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758629

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide (CID 42908434) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide is O=C(NCC1COc2ccccc2O1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide?
The InChIKey is KORCRIISOQHBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-19(20-8-13-5-14(9-20)7-15(6-13)10-20)21-11-16-12-23-17-3-1-2-4-18(17)24-16/h1-4,13-16H,5-12H2,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)adamantane-1-carboxamide has a molecular weight of 327.42 g/mol, XLogP of 3.16, 3 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-3-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 42908434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).