(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C17H23NO2 — CID 112532262

IUPAC(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOC1CCC(C(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C17H23NO2/c1-12-11-14-5-3-4-6-16(14)18(12)17(19)13-7-9-15(20-2)10-8-13/h3-6,12-13,15H,7-11H2,1-2H3
InChIKeySQPHTHDPUOODRC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.17
Rot. Bonds2

About (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112532262) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112532262
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOC1CCC(C(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C17H23NO2/c1-12-11-14-5-3-4-6-16(14)18(12)17(19)13-7-9-15(20-2)10-8-13/h3-6,12-13,15H,7-11H2,1-2H3
InChIKeySQPHTHDPUOODRC-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone 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

[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 42905949
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide
CID 109151153
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359

Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 112532262) is (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is COC1CCC(C(=O)N2c3ccccc3CC2C)CC1.
What is the InChIKey of (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is SQPHTHDPUOODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-11-14-5-3-4-6-16(14)18(12)17(19)13-7-9-15(20-2)10-8-13/h3-6,12-13,15H,7-11H2,1-2H3.
What are the key properties of (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112532262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).