2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone

C16H19NO3 — CID 103555921

IUPAC2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CC3(OC)CCC3)c2c1
InChIInChI=1S/C16H19NO3/c1-19-11-4-5-14-12(8-11)13(10-17-14)15(18)9-16(20-2)6-3-7-16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyCLRGTBXMOZBTRB-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.32
Rot. Bonds5

About 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone

2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 103555921) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID103555921
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CC3(OC)CCC3)c2c1
InChIInChI=1S/C16H19NO3/c1-19-11-4-5-14-12(8-11)13(10-17-14)15(18)9-16(20-2)6-3-7-16/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyCLRGTBXMOZBTRB-UHFFFAOYSA-N
XLogP3.32
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone 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-(2-bromo-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555951
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 7392149
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone (CID 103555921) is 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone is COc1ccc2[nH]cc(C(=O)CC3(OC)CCC3)c2c1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is CLRGTBXMOZBTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-11-4-5-14-12(8-11)13(10-17-14)15(18)9-16(20-2)6-3-7-16/h4-5,8,10,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 273.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 103555921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).