N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide

C28H28N2O3 — CID 24803609

IUPACN-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOc1cccc2c1C[C@H](N1C(=O)c3ccccc3C1C(=O)Nc1c(C)cccc1C)CC2
InChIInChI=1S/C28H28N2O3/c1-17-8-6-9-18(2)25(17)29-27(31)26-21-11-4-5-12-22(21)28(32)30(26)20-15-14-19-10-7-13-24(33-3)23(19)16-20/h4-13,20,26H,14-16H2,1-3H3,(H,29,31)/t20-,26?/m1/s1
InChIKeyRCAGSROJKKCKJU-TUHVGIAZSA-N
MW440.54 g/mol
LogP5.01
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide

N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 24803609) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID24803609
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOc1cccc2c1C[C@H](N1C(=O)c3ccccc3C1C(=O)Nc1c(C)cccc1C)CC2
InChIInChI=1S/C28H28N2O3/c1-17-8-6-9-18(2)25(17)29-27(31)26-21-11-4-5-12-22(21)28(32)30(26)20-15-14-19-10-7-13-24(33-3)23(19)16-20/h4-13,20,26H,14-16H2,1-3H3,(H,29,31)/t20-,26?/m1/s1
InChIKeyRCAGSROJKKCKJU-TUHVGIAZSA-N
XLogP5.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 91252837
2-[(2-methoxyphenyl)methyl]-N-(2-methyl-6-propan-2-ylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 24803934
N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 24803449
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
CID 67828788
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
2-cyclopropyl-3-(2-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 110457451
2-cyclopropyl-N-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 47801589
N-(2,6-dimethylphenyl)-2-(2-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051785

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide (CID 24803609) is N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide is COc1cccc2c1C[C@H](N1C(=O)c3ccccc3C1C(=O)Nc1c(C)cccc1C)CC2.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is RCAGSROJKKCKJU-TUHVGIAZSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-17-8-6-9-18(2)25(17)29-27(31)26-21-11-4-5-12-22(21)28(32)30(26)20-15-14-19-10-7-13-24(33-3)23(19)16-20/h4-13,20,26H,14-16H2,1-3H3,(H,29,31)/t20-,26?/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide?
N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 24803609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).