N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide

C24H24N2O3 — CID 46942536

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H24N2O3/c1-24(23(27)25-20-8-9-21-22(15-20)29-13-12-28-21)10-11-26(24)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15H,10-13,16H2,1H3,(H,25,27)
InChIKeySMUQZWLJZBTBJG-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.21
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide (PubChem CID 46942536) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide
PubChem CID46942536
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H24N2O3/c1-24(23(27)25-20-8-9-21-22(15-20)29-13-12-28-21)10-11-26(24)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15H,10-13,16H2,1H3,(H,25,27)
InChIKeySMUQZWLJZBTBJG-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593303
N-(1,3-benzodioxol-5-yl)-1-benzoyl-2-methylazetidine-2-carboxamide
CID 46948137
(3S)-1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 52504523
1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide
CID 69174075
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593215
1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide
CID 80588839
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
1-N'-benzyl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976596
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83064368
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795675

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide (CID 46942536) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide is CC1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccc2ccccc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide?
The InChIKey is SMUQZWLJZBTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-24(23(27)25-20-8-9-21-22(15-20)29-13-12-28-21)10-11-26(24)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15H,10-13,16H2,1H3,(H,25,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide is sourced from PubChem (CID 46942536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).