1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea

C25H28N4O3 — CID 59425380

IUPAC1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCC(C)O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H28N4O3/c1-3-32-20-11-12-21-22(14-26)24(29(23(21)13-20)19-5-4-6-19)17-7-9-18(10-8-17)28-25(31)27-15-16(2)30/h7-13,16,19,30H,3-6,15H2,1-2H3,(H2,27,28,31)
InChIKeyWWTSDZZZDFNFBG-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.81
Rot. Bonds7

About 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea

1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea (PubChem CID 59425380) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
PubChem CID59425380
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCC(C)O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H28N4O3/c1-3-32-20-11-12-21-22(14-26)24(29(23(21)13-20)19-5-4-6-19)17-7-9-18(10-8-17)28-25(31)27-15-16(2)30/h7-13,16,19,30H,3-6,15H2,1-2H3,(H2,27,28,31)
InChIKeyWWTSDZZZDFNFBG-UHFFFAOYSA-N
XLogP4.81
TPSA99.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-morpholin-4-ylethyl)urea
CID 59425775
1-[4-(3-cyano-1-cyclopropyl-6-ethoxyindol-2-yl)phenyl]-3-(oxan-4-yl)urea
CID 59426368
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-ethoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425311
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrrol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 70798049
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59430480
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-[2-(1,3-oxazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59430625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea (CID 59425380) is 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea is CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCC(C)O)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea?
The InChIKey is WWTSDZZZDFNFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-32-20-11-12-21-22(14-26)24(29(23(21)13-20)19-5-4-6-19)17-7-9-18(10-8-17)28-25(31)27-15-16(2)30/h7-13,16,19,30H,3-6,15H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea?
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea has a molecular weight of 432.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 59425380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).