[(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol

C17H22N2O3 — CID 167467875

IUPAC[(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol
SMILESCC1(C(O)Nc2c[nH]c3ccc(OC4CCC4)cc23)COC1
InChIInChI=1S/C17H22N2O3/c1-17(9-21-10-17)16(20)19-15-8-18-14-6-5-12(7-13(14)15)22-11-3-2-4-11/h5-8,11,16,18-20H,2-4,9-10H2,1H3
InChIKeyVIRLUSZBYLDXAY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.87
Rot. Bonds5

About [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol

[(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol (PubChem CID 167467875) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol.

Molecular Properties

Compound Name[(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol
PubChem CID167467875
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol
SMILESCC1(C(O)Nc2c[nH]c3ccc(OC4CCC4)cc23)COC1
InChIInChI=1S/C17H22N2O3/c1-17(9-21-10-17)16(20)19-15-8-18-14-6-5-12(7-13(14)15)22-11-3-2-4-11/h5-8,11,16,18-20H,2-4,9-10H2,1H3
InChIKeyVIRLUSZBYLDXAY-UHFFFAOYSA-N
XLogP2.87
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 167468016
N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
CID 167467905
(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine
CID 67185221
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
5-cycloheptyloxy-1H-indole
CID 82923976
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138753069
N-[5-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]oxy]-1H-indol-3-yl]acetamide
CID 167468115
N-[5-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]oxy-1H-indol-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 168986833
4-bromo-6-cyclohexyloxy-2H-isoquinolin-1-one
CID 67731767

Frequently Asked Questions

What is the IUPAC name of [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol?
The IUPAC name of [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol (CID 167467875) is [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol.
What is the SMILES notation for [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol?
The canonical SMILES for [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol is CC1(C(O)Nc2c[nH]c3ccc(OC4CCC4)cc23)COC1.
What is the InChIKey of [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol?
The InChIKey is VIRLUSZBYLDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(9-21-10-17)16(20)19-15-8-18-14-6-5-12(7-13(14)15)22-11-3-2-4-11/h5-8,11,16,18-20H,2-4,9-10H2,1H3.
What are the key properties of [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol?
[(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol has a molecular weight of 302.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-cyclobutyloxy-1H-indol-3-yl)amino]-(3-methyloxetan-3-yl)methanol is sourced from PubChem (CID 167467875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).