N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide

C24H24N2O3 — CID 71812067

IUPACN-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide
SMILESCCNC(=O)c1ccc(Oc2ccccc2)c(-c2[nH]c(C)c3c2CCCC3=O)c1
InChIInChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)
InChIKeyUYVKPTPDSHKJCN-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.05
Rot. Bonds5

About N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide

N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide (PubChem CID 71812067) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide
PubChem CID71812067
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide
SMILESCCNC(=O)c1ccc(Oc2ccccc2)c(-c2[nH]c(C)c3c2CCCC3=O)c1
InChIInChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)
InChIKeyUYVKPTPDSHKJCN-UHFFFAOYSA-N
XLogP5.05
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide with MolForge

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Related Compounds

US10633379, Example 3
CID 132010677
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
CID 71616055
Brd4-IN-8
CID 71616418
US9776990, Example 2
CID 71811973
1-(5-amino-2-phenoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H-isoindol-4-one
CID 71812048
methyl 3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxybenzoate
CID 71812065
3-Methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
CID 86270617
3-methyl-1-(2-phenoxyphenyl)-6,7-dihydro-2H-pyrrolo[3,4-c]pyridin-4(5H)-one
CID 86271752
2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 86299218
N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 25108233
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 45485155
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
CID 122183504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide?
The IUPAC name of N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide (CID 71812067) is N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide.
What is the SMILES notation for N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide?
The canonical SMILES for N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide is CCNC(=O)c1ccc(Oc2ccccc2)c(-c2[nH]c(C)c3c2CCCC3=O)c1.
What is the InChIKey of N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide?
The InChIKey is UYVKPTPDSHKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28).
What are the key properties of N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide?
N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide has a molecular weight of 388.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)-4-phenoxybenzamide is sourced from PubChem (CID 71812067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).