N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

C23H26N2O3 — CID 122175076

IUPACN-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)NC4CCCCCC4)c3C2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-13-11-18(12-14-19)25-15-16-7-6-10-20(21(16)23(25)27)22(26)24-17-8-4-2-3-5-9-17/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,24,26)
InChIKeyUNCMSXNEQJQYGA-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.31
Rot. Bonds4

About N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 122175076) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID122175076
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)NC4CCCCCC4)c3C2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-13-11-18(12-14-19)25-15-16-7-6-10-20(21(16)23(25)27)22(26)24-17-8-4-2-3-5-9-17/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,24,26)
InChIKeyUNCMSXNEQJQYGA-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide
CID 6619677
N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3242240
2-(4-methoxyphenyl)-7-propan-2-yl-3H-isoindol-1-one
CID 167034371
N-cyclohexyl-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91945533
N-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23876755
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclohexyl-2-[(4-methoxybenzoyl)-methylamino]benzamide
CID 4779078
2,3-dimethoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548524
N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
CID 122175074
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
2-[4-[4-(4-methoxyphenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid
CID 24757049
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 122175076) is N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is COc1ccc(N2Cc3cccc(C(=O)NC4CCCCCC4)c3C2=O)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is UNCMSXNEQJQYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-19-13-11-18(12-14-19)25-15-16-7-6-10-20(21(16)23(25)27)22(26)24-17-8-4-2-3-5-9-17/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,24,26).
What are the key properties of N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122175076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).