2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide

C23H24N2O3 — CID 11921808

IUPAC2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N(Cc1cccnc1)C[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C23H24N2O3/c26-23(11-17-4-6-21-22(10-17)28-15-27-21)25(13-18-2-1-7-24-12-18)14-20-9-16-3-5-19(20)8-16/h1-7,10,12,16,19-20H,8-9,11,13-15H2/t16-,19+,20-/m1/s1
InChIKeyKZWDGUWPKYHJNG-LSTHTHJFSA-N
MW376.46 g/mol
LogP3.59
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 11921808) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID11921808
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)N(Cc1cccnc1)C[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C23H24N2O3/c26-23(11-17-4-6-21-22(10-17)28-15-27-21)25(13-18-2-1-7-24-12-18)14-20-9-16-3-5-19(20)8-16/h1-7,10,12,16,19-20H,8-9,11,13-15H2/t16-,19+,20-/m1/s1
InChIKeyKZWDGUWPKYHJNG-LSTHTHJFSA-N
XLogP3.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 18557460
(1S,2S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164641594
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide
CID 18557463
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
CID 11921666
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 11921659
1,3-benzodioxol-5-ylmethyl(pyridin-3-ylmethyl)carbamodithioic acid
CID 102336345
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3865539
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 98130164
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide (CID 11921808) is 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccc2c(c1)OCO2)N(Cc1cccnc1)C[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KZWDGUWPKYHJNG-LSTHTHJFSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-23(11-17-4-6-21-22(10-17)28-15-27-21)25(13-18-2-1-7-24-12-18)14-20-9-16-3-5-19(20)8-16/h1-7,10,12,16,19-20H,8-9,11,13-15H2/t16-,19+,20-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 11921808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).