N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide

C31H31N3O2 — CID 4664818

IUPACN-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C31H31N3O2/c1-20(30(35)32-22-14-6-3-7-15-22)34-29(23-16-8-9-17-24(23)31(34)36)27-25-18-10-11-19-26(25)33-28(27)21-12-4-2-5-13-21/h2,4-5,8-13,16-20,22,29,33H,3,6-7,14-15H2,1H3,(H,32,35)
InChIKeyPRDLHKVCFCWFOU-UHFFFAOYSA-N
MW477.61 g/mol
LogP6.22
Rot. Bonds5

About N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide

N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide (PubChem CID 4664818) has the molecular formula C31H31N3O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
PubChem CID4664818
Molecular FormulaC31H31N3O2
Molecular Weight477.61 g/mol
Exact Mass477.24
IUPAC NameN-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C31H31N3O2/c1-20(30(35)32-22-14-6-3-7-15-22)34-29(23-16-8-9-17-24(23)31(34)36)27-25-18-10-11-19-26(25)33-28(27)21-12-4-2-5-13-21/h2,4-5,8-13,16-20,22,29,33H,3,6-7,14-15H2,1H3,(H,32,35)
InChIKeyPRDLHKVCFCWFOU-UHFFFAOYSA-N
XLogP6.22
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide (CID 4664818) is N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide is CC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?
The InChIKey is PRDLHKVCFCWFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O2/c1-20(30(35)32-22-14-6-3-7-15-22)34-29(23-16-8-9-17-24(23)31(34)36)27-25-18-10-11-19-26(25)33-28(27)21-12-4-2-5-13-21/h2,4-5,8-13,16-20,22,29,33H,3,6-7,14-15H2,1H3,(H,32,35).
What are the key properties of N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide?
N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide has a molecular weight of 477.61 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide is sourced from PubChem (CID 4664818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).