N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide

C31H38F3N3O — CID 166691579

IUPACN-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESNC1CCC(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cn(CC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C31H38F3N3O/c32-31(33,34)23-10-6-9-22(17-23)27(18-30(38)36-25-15-13-24(35)14-16-25)28-20-37(19-21-7-2-1-3-8-21)29-12-5-4-11-26(28)29/h4-6,9-12,17,20-21,24-25,27H,1-3,7-8,13-16,18-19,35H2,(H,36,38)
InChIKeySXIVTZXHOAVZIN-UHFFFAOYSA-N
MW525.66 g/mol
LogP7.15
Rot. Bonds7

About N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide

N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 166691579) has the molecular formula C31H38F3N3O and a molecular weight of 525.66 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID166691579
Molecular FormulaC31H38F3N3O
Molecular Weight525.66 g/mol
Exact Mass525.30
IUPAC NameN-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESNC1CCC(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cn(CC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C31H38F3N3O/c32-31(33,34)23-10-6-9-22(17-23)27(18-30(38)36-25-15-13-24(35)14-16-25)28-20-37(19-21-7-2-1-3-8-21)29-12-5-4-11-26(28)29/h4-6,9-12,17,20-21,24-25,27H,1-3,7-8,13-16,18-19,35H2,(H,36,38)
InChIKeySXIVTZXHOAVZIN-UHFFFAOYSA-N
XLogP7.15
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminocyclohexyl)-4-[1-(cyclohexylmethyl)indol-3-yl]-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 158643781
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-quinolin-3-ylpropanamide
CID 162460048
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-isoquinolin-4-ylpropanamide
CID 149471860
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
N-(4-aminocyclohexyl)-3-[5-cyano-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 162459873
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495
N-(4-aminocyclohexyl)-3-[5-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579439
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride
CID 162460029
5-(4-aminocyclohexyl)-1-[1-(cyclohexylmethyl)indol-3-yl]-1-(3-methylphenyl)pentan-3-one;hydrochloride
CID 158883705
N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42801294

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 166691579) is N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide is NC1CCC(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cn(CC3CCCCC3)c3ccccc23)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SXIVTZXHOAVZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F3N3O/c32-31(33,34)23-10-6-9-22(17-23)27(18-30(38)36-25-15-13-24(35)14-16-25)28-20-37(19-21-7-2-1-3-8-21)29-12-5-4-11-26(28)29/h4-6,9-12,17,20-21,24-25,27H,1-3,7-8,13-16,18-19,35H2,(H,36,38).
What are the key properties of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide?
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 525.66 g/mol, XLogP of 7.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 166691579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).