1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile

C22H22N2O2 — CID 91127779

IUPAC1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
SMILESCOCCOc1ccc2c(C#N)c(-c3ccccc3)n(C3CCC3)c2c1
InChIInChI=1S/C22H22N2O2/c1-25-12-13-26-18-10-11-19-20(15-23)22(16-6-3-2-4-7-16)24(21(19)14-18)17-8-5-9-17/h2-4,6-7,10-11,14,17H,5,8-9,12-13H2,1H3
InChIKeyZZSRFZJDEMKGPP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.93
Rot. Bonds6

About 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile

1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile (PubChem CID 91127779) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
PubChem CID91127779
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
SMILESCOCCOc1ccc2c(C#N)c(-c3ccccc3)n(C3CCC3)c2c1
InChIInChI=1S/C22H22N2O2/c1-25-12-13-26-18-10-11-19-20(15-23)22(16-6-3-2-4-7-16)24(21(19)14-18)17-8-5-9-17/h2-4,6-7,10-11,14,17H,5,8-9,12-13H2,1H3
InChIKeyZZSRFZJDEMKGPP-UHFFFAOYSA-N
XLogP4.93
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425395
1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59426138
1-cyclobutyl-2-[4-(methylamino)phenyl]-6-(2-pyrimidin-2-ylsulfanylethoxy)indole-3-carbonitrile
CID 143509280
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(1-methoxypropan-2-yl)urea
CID 59425011
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrrol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 70798049
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-ethoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425311
1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine
CID 143511341
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59425953

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile?
The IUPAC name of 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile (CID 91127779) is 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile?
The canonical SMILES for 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile is COCCOc1ccc2c(C#N)c(-c3ccccc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile?
The InChIKey is ZZSRFZJDEMKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-25-12-13-26-18-10-11-19-20(15-23)22(16-6-3-2-4-7-16)24(21(19)14-18)17-8-5-9-17/h2-4,6-7,10-11,14,17H,5,8-9,12-13H2,1H3.
What are the key properties of 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile?
1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile has a molecular weight of 346.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile is sourced from PubChem (CID 91127779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).