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

C28H33N5O3 — CID 59425775

IUPAC1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCN4CCOCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C28H33N5O3/c1-2-36-23-10-11-24-25(19-29)27(33(26(24)18-23)22-4-3-5-22)20-6-8-21(9-7-20)31-28(34)30-12-13-32-14-16-35-17-15-32/h6-11,18,22H,2-5,12-17H2,1H3,(H2,30,31,34)
InChIKeyFCTCILDIXNWNEO-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.76
Rot. Bonds8

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

1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 59425775) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID59425775
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCN4CCOCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C28H33N5O3/c1-2-36-23-10-11-24-25(19-29)27(33(26(24)18-23)22-4-3-5-22)20-6-8-21(9-7-20)31-28(34)30-12-13-32-14-16-35-17-15-32/h6-11,18,22H,2-5,12-17H2,1H3,(H2,30,31,34)
InChIKeyFCTCILDIXNWNEO-UHFFFAOYSA-N
XLogP4.76
TPSA91.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea with MolForge

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Related Compounds

1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
CID 59425380
1-[4-(3-cyano-1-cyclopropyl-6-ethoxyindol-2-yl)phenyl]-3-(oxan-4-yl)urea
CID 59426368
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-(4-morpholin-4-ylbutyl)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 70798051
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
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
[(2S)-butan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59606515
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59426138
1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59425044
2,4-dimethylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425190

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea (CID 59425775) is 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea is CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCN4CCOCC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is FCTCILDIXNWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-2-36-23-10-11-24-25(19-29)27(33(26(24)18-23)22-4-3-5-22)20-6-8-21(9-7-20)31-28(34)30-12-13-32-14-16-35-17-15-32/h6-11,18,22H,2-5,12-17H2,1H3,(H2,30,31,34).
What are the key properties of 1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 487.60 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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-morpholin-4-ylethyl)urea is sourced from PubChem (CID 59425775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).