1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine

C28H38N4O3 — CID 143511341

IUPAC1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine
SMILESC=O.CC(C)N.CCN(C)CCOc1ccc2c(C#N)c(-c3ccc(O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C24H27N3O2.C3H9N.CH2O/c1-3-26(2)13-14-29-20-11-12-21-22(16-25)24(17-7-9-19(28)10-8-17)27(23(21)15-20)18-5-4-6-18;1-3(2)4;1-2/h7-12,15,18,28H,3-6,13-14H2,1-2H3;3H,4H2,1-2H3;1H2
InChIKeyLOCGOEOMSRRYPN-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.11
Rot. Bonds7

About 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine

1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine (PubChem CID 143511341) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine
PubChem CID143511341
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine
SMILESC=O.CC(C)N.CCN(C)CCOc1ccc2c(C#N)c(-c3ccc(O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C24H27N3O2.C3H9N.CH2O/c1-3-26(2)13-14-29-20-11-12-21-22(16-25)24(17-7-9-19(28)10-8-17)27(23(21)15-20)18-5-4-6-18;1-3(2)4;1-2/h7-12,15,18,28H,3-6,13-14H2,1-2H3;3H,4H2,1-2H3;1H2
InChIKeyLOCGOEOMSRRYPN-UHFFFAOYSA-N
XLogP5.11
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine 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

1-cyclobutyl-2-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile;1-cyclopropylethanamine;formaldehyde
CID 143511042
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
CID 91127779
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
1-[4-[6-[(Z)-4-amino-3-(methylamino)but-3-enoxy]-3-cyano-1-cyclobutylindol-2-yl]phenyl]-3-propan-2-ylurea
CID 143509758
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(1-methoxypropan-2-yl)urea
CID 59425011
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
CID 59425380
1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-ethoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425311
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrrol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 70798049
2-(4-aminophenyl)-1-cyclopentyl-6-ethoxyindole-3-carbonitrile;ethane;propyl formate
CID 143510951
cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425395

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine?
The IUPAC name of 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine (CID 143511341) is 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine?
The canonical SMILES for 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine is C=O.CC(C)N.CCN(C)CCOc1ccc2c(C#N)c(-c3ccc(O)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine?
The InChIKey is LOCGOEOMSRRYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2.C3H9N.CH2O/c1-3-26(2)13-14-29-20-11-12-21-22(16-25)24(17-7-9-19(28)10-8-17)27(23(21)15-20)18-5-4-6-18;1-3(2)4;1-2/h7-12,15,18,28H,3-6,13-14H2,1-2H3;3H,4H2,1-2H3;1H2.
What are the key properties of 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine?
1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine has a molecular weight of 478.64 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-[2-[ethyl(methyl)amino]ethoxy]-2-(4-hydroxyphenyl)indole-3-carbonitrile;formaldehyde;propan-2-amine is sourced from PubChem (CID 143511341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).