2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide

C24H28N2O2 — CID 20855937

IUPAC2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1cccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c1
InChIInChI=1S/C24H28N2O2/c1-17-7-5-8-18(15-17)13-14-25-23(27)21-12-6-9-19-16-26(24(28)22(19)21)20-10-3-2-4-11-20/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(H,25,27)
InChIKeyUNWKOJBGCPAGNA-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.26
Rot. Bonds5

About 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide

2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 20855937) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID20855937
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1cccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c1
InChIInChI=1S/C24H28N2O2/c1-17-7-5-8-18(15-17)13-14-25-23(27)21-12-6-9-19-16-26(24(28)22(19)21)20-10-3-2-4-11-20/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(H,25,27)
InChIKeyUNWKOJBGCPAGNA-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide (CID 20855937) is 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide is Cc1cccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c1.
What is the InChIKey of 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is UNWKOJBGCPAGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-7-5-8-18(15-17)13-14-25-23(27)21-12-6-9-19-16-26(24(28)22(19)21)20-10-3-2-4-11-20/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(H,25,27).
What are the key properties of 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide?
2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 20855937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).