N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide

C19H20N2O2 — CID 76867899

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide
SMILESCON=Cc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H20N2O2/c1-23-21-13-14-5-9-17(10-6-14)19(22)20-12-15-7-8-16-3-2-4-18(16)11-15/h5-11,13H,2-4,12H2,1H3,(H,20,22)
InChIKeyJRHSLCIJEKPKKQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.09
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide (PubChem CID 76867899) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide
PubChem CID76867899
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide
SMILESCON=Cc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H20N2O2/c1-23-21-13-14-5-9-17(10-6-14)19(22)20-12-15-7-8-16-3-2-4-18(16)11-15/h5-11,13H,2-4,12H2,1H3,(H,20,22)
InChIKeyJRHSLCIJEKPKKQ-UHFFFAOYSA-N
XLogP3.09
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60556216
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 62499945
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112695615
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide (CID 76867899) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide is CON=Cc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide?
The InChIKey is JRHSLCIJEKPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-21-13-14-5-9-17(10-6-14)19(22)20-12-15-7-8-16-3-2-4-18(16)11-15/h5-11,13H,2-4,12H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide is sourced from PubChem (CID 76867899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).