N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C17H18N2O2 — CID 103998750

IUPACN-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1C
InChIInChI=1S/C17H18N2O2/c1-11-7-15(5-6-16(11)21-2)19-17(20)12-3-4-13-9-18-10-14(13)8-12/h3-8,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyKCGDCNMFVMCWCK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.86
Rot. Bonds3

About N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998750) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998750
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1C
InChIInChI=1S/C17H18N2O2/c1-11-7-15(5-6-16(11)21-2)19-17(20)12-3-4-13-9-18-10-14(13)8-12/h3-8,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyKCGDCNMFVMCWCK-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
CID 107025570
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
N-[3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 25055574
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998750) is N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is KCGDCNMFVMCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-7-15(5-6-16(11)21-2)19-17(20)12-3-4-13-9-18-10-14(13)8-12/h3-8,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).