2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide

C24H28N2O5 — CID 15990934

IUPAC2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc(OC)c1OC
InChIInChI=1S/C24H28N2O5/c1-29-19-12-16(13-20(30-2)22(19)31-3)25-23(27)18-11-7-8-15-14-26(24(28)21(15)18)17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10,14H2,1-3H3,(H,25,27)
InChIKeyBSPFBFCJTOQUKF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.25
Rot. Bonds6

About 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide

2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide (PubChem CID 15990934) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide
PubChem CID15990934
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc(OC)c1OC
InChIInChI=1S/C24H28N2O5/c1-29-19-12-16(13-20(30-2)22(19)31-3)25-23(27)18-11-7-8-15-14-26(24(28)21(15)18)17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10,14H2,1-3H3,(H,25,27)
InChIKeyBSPFBFCJTOQUKF-UHFFFAOYSA-N
XLogP4.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
CID 2731732
(3Z)-3-benzylidene-N-tert-butyl-4-oxo-2-phenyl-1-(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 145956362
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2221614
N-(3-methoxyphenyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide
CID 1939777
N-(3,4-dimethoxyphenyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 3236167
N-1,3-benzodioxol-5-yl-2-cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 3243353
N-1,3-benzodioxol-5-yl-3-oxo-2-propylisoindoline-4-carboxamide
CID 3244572
5-Methyl-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3-dione
CID 3528757
2-[(2H-1,3-Benzodioxol-5-YL)methyl]-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
CID 9550869
N-(2,4-Dimethoxyphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
CID 15990907
2-(4-Methoxyphenyl)-3-oxo-N-[4-(propan-2-YL)phenyl]-2,3-dihydro-1H-isoindole-4-carboxamide
CID 15990960
2-(4-Methoxyphenyl)-N-(4-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 15990962

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide (CID 15990934) is 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide is COc1cc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc(OC)c1OC.
What is the InChIKey of 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is BSPFBFCJTOQUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-19-12-16(13-20(30-2)22(19)31-3)25-23(27)18-11-7-8-15-14-26(24(28)21(15)18)17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10,14H2,1-3H3,(H,25,27).
What are the key properties of 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).