[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone

C25H29N3O3 — CID 71176585

IUPAC[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESCCOc1ccc2c(N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29N3O3/c1-2-31-20-10-11-21-22(16-20)28(19-4-3-5-19)24(23(21)26)17-6-8-18(9-7-17)25(29)27-12-14-30-15-13-27/h6-11,16,19H,2-5,12-15,26H2,1H3
InChIKeyAALLROHSDCPTAG-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.49
Rot. Bonds5

About [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone

[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 71176585) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID71176585
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESCCOc1ccc2c(N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29N3O3/c1-2-31-20-10-11-21-22(16-20)28(19-4-3-5-19)24(23(21)26)17-6-8-18(9-7-17)25(29)27-12-14-30-15-13-27/h6-11,16,19H,2-5,12-15,26H2,1H3
InChIKeyAALLROHSDCPTAG-UHFFFAOYSA-N
XLogP4.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805428
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59425953
1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59426138
4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide
CID 70825684
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine
CID 89344162
cyclopentyl N-[5-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)-2-pyridinyl]carbamate
CID 70844167
2,4-dimethylpentan-3-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70859006
1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 71177339
cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
CID 70805302
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone (CID 71176585) is [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone is CCOc1ccc2c(N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is AALLROHSDCPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-2-31-20-10-11-21-22(16-20)28(19-4-3-5-19)24(23(21)26)17-6-8-18(9-7-17)25(29)27-12-14-30-15-13-27/h6-11,16,19H,2-5,12-15,26H2,1H3.
What are the key properties of [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone?
[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 419.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71176585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).