N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide

C27H33F3N2O3 — CID 2023554

IUPACN-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)[C@@]2(NC(=O)CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C27H33F3N2O3/c1-25(2)15-20-23(21(33)16-25)26(27(28,29)30,24(35)32(20)17-19-11-7-4-8-12-19)31-22(34)14-13-18-9-5-3-6-10-18/h4,7-8,11-12,18H,3,5-6,9-10,13-17H2,1-2H3,(H,31,34)/t26-/m1/s1
InChIKeyOALWBKKJXKONTM-AREMUKBSSA-N
MW490.57 g/mol
LogP5.45
Rot. Bonds6

About N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide

N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide (PubChem CID 2023554) has the molecular formula C27H33F3N2O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide
PubChem CID2023554
Molecular FormulaC27H33F3N2O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC NameN-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)[C@@]2(NC(=O)CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C27H33F3N2O3/c1-25(2)15-20-23(21(33)16-25)26(27(28,29)30,24(35)32(20)17-19-11-7-4-8-12-19)31-22(34)14-13-18-9-5-3-6-10-18/h4,7-8,11-12,18H,3,5-6,9-10,13-17H2,1-2H3,(H,31,34)/t26-/m1/s1
InChIKeyOALWBKKJXKONTM-AREMUKBSSA-N
XLogP5.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide (CID 2023554) is N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide is CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)[C@@]2(NC(=O)CCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide?
The InChIKey is OALWBKKJXKONTM-AREMUKBSSA-N. The full InChI is InChI=1S/C27H33F3N2O3/c1-25(2)15-20-23(21(33)16-25)26(27(28,29)30,24(35)32(20)17-19-11-7-4-8-12-19)31-22(34)14-13-18-9-5-3-6-10-18/h4,7-8,11-12,18H,3,5-6,9-10,13-17H2,1-2H3,(H,31,34)/t26-/m1/s1.
What are the key properties of N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide?
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide has a molecular weight of 490.57 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 2023554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).