3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide

C26H46N2O — CID 70927490

IUPAC3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide
SMILESCC(C[C@@H]1CN(C2CCCCC2)C2CCC(CCC(N)=O)CC21)C1CCCCC1
InChIInChI=1S/C26H46N2O/c1-19(21-8-4-2-5-9-21)16-22-18-28(23-10-6-3-7-11-23)25-14-12-20(17-24(22)25)13-15-26(27)29/h19-25H,2-18H2,1H3,(H2,27,29)/t19?,20?,22-,24?,25?/m1/s1
InChIKeyRUGDPZOFKQNBMA-MZGRARQXSA-N
MW402.67 g/mol
LogP5.91
Rot. Bonds7

About 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide

3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide (PubChem CID 70927490) has the molecular formula C26H46N2O and a molecular weight of 402.67 g/mol. Its IUPAC name is 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide
PubChem CID70927490
Molecular FormulaC26H46N2O
Molecular Weight402.67 g/mol
Exact Mass402.36
IUPAC Name3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide
SMILESCC(C[C@@H]1CN(C2CCCCC2)C2CCC(CCC(N)=O)CC21)C1CCCCC1
InChIInChI=1S/C26H46N2O/c1-19(21-8-4-2-5-9-21)16-22-18-28(23-10-6-3-7-11-23)25-14-12-20(17-24(22)25)13-15-26(27)29/h19-25H,2-18H2,1H3,(H2,27,29)/t19?,20?,22-,24?,25?/m1/s1
InChIKeyRUGDPZOFKQNBMA-MZGRARQXSA-N
XLogP5.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-cyclohexyl-3-(2-cyclohexylethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]-1-hydrazinylpropan-1-amine
CID 70927513
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
3-cyclopropylpropanamide
CID 53414720
3-cyclopentylpropanamide;molecular hydrogen
CID 142041552
4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 167520283
methyl 4-cyclohexylpentanoate
CID 174916606
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
1-cyclohexyl-5-methylhex-4-en-3-one
CID 115780649
18-cyclohexyloctadecanamide
CID 70490920
3-amino-4-cyclohexylbutan-2-one
CID 20668322
1-(2-cyclohexylpropyl)pyrrolidine-3-carboxamide
CID 126798055
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide?
The IUPAC name of 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide (CID 70927490) is 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide is CC(C[C@@H]1CN(C2CCCCC2)C2CCC(CCC(N)=O)CC21)C1CCCCC1.
What is the InChIKey of 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide?
The InChIKey is RUGDPZOFKQNBMA-MZGRARQXSA-N. The full InChI is InChI=1S/C26H46N2O/c1-19(21-8-4-2-5-9-21)16-22-18-28(23-10-6-3-7-11-23)25-14-12-20(17-24(22)25)13-15-26(27)29/h19-25H,2-18H2,1H3,(H2,27,29)/t19?,20?,22-,24?,25?/m1/s1.
What are the key properties of 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide?
3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide has a molecular weight of 402.67 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-cyclohexyl-3-(2-cyclohexylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl]propanamide is sourced from PubChem (CID 70927490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).