N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide

C17H22N2O2 — CID 113086137

IUPACN-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-11-14(8-9-18-17(20)12-4-3-5-12)15-10-13(21-2)6-7-16(15)19-11/h6-7,10,12,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyUWWXKUTVKUPMMT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide

N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide (PubChem CID 113086137) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
PubChem CID113086137
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-11-14(8-9-18-17(20)12-4-3-5-12)15-10-13(21-2)6-7-16(15)19-11/h6-7,10,12,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyUWWXKUTVKUPMMT-UHFFFAOYSA-N
XLogP2.94
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 10042516
propan-2-yl (1S,6S)-6-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7310637
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113086044
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 12005981
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 124852403
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide (CID 113086137) is N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide is COc1ccc2[nH]c(C)c(CCNC(=O)C3CCC3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is UWWXKUTVKUPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-14(8-9-18-17(20)12-4-3-5-12)15-10-13(21-2)6-7-16(15)19-11/h6-7,10,12,19H,3-5,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide?
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113086137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).