N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide

C26H26N2O3 — CID 91252837

IUPACN-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOc1ccccc1CCN1C(=O)c2ccccc2C1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C26H26N2O3/c1-17-9-8-10-18(2)23(17)27-25(29)24-20-12-5-6-13-21(20)26(30)28(24)16-15-19-11-4-7-14-22(19)31-3/h4-14,24H,15-16H2,1-3H3,(H,27,29)
InChIKeyFZCFXUUTVGRCNS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.69
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide

N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 91252837) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID91252837
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOc1ccccc1CCN1C(=O)c2ccccc2C1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C26H26N2O3/c1-17-9-8-10-18(2)23(17)27-25(29)24-20-12-5-6-13-21(20)26(30)28(24)16-15-19-11-4-7-14-22(19)31-3/h4-14,24H,15-16H2,1-3H3,(H,27,29)
InChIKeyFZCFXUUTVGRCNS-UHFFFAOYSA-N
XLogP4.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-2-[(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-oxo-1H-isoindole-1-carboxamide
CID 24803609
N-(2,6-dimethylphenyl)-3-oxo-2-[2-[3-(trifluoromethyl)phenoxy]propyl]-1H-isoindole-1-carboxamide
CID 68844195
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137840
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948559
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
CID 68771820
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 91822785
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 92714959
2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 22549066

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide (CID 91252837) is N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide is COc1ccccc1CCN1C(=O)c2ccccc2C1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is FZCFXUUTVGRCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17-9-8-10-18(2)23(17)27-25(29)24-20-12-5-6-13-21(20)26(30)28(24)16-15-19-11-4-7-14-22(19)31-3/h4-14,24H,15-16H2,1-3H3,(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide?
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.69, 6 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-[2-(2-methoxyphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 91252837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).