2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone

C15H18N2O — CID 113246464

IUPAC2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C15H18N2O/c1-17(11-5-4-6-11)10-15(18)13-9-16-14-8-3-2-7-12(13)14/h2-3,7-9,11,16H,4-6,10H2,1H3
InChIKeyIBTLCIIDCATNGQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.83
Rot. Bonds4

About 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone

2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone (PubChem CID 113246464) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
PubChem CID113246464
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESCN(CC(=O)c1c[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C15H18N2O/c1-17(11-5-4-6-11)10-15(18)13-9-16-14-8-3-2-7-12(13)14/h2-3,7-9,11,16H,4-6,10H2,1H3
InChIKeyIBTLCIIDCATNGQ-UHFFFAOYSA-N
XLogP2.83
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(methyl)amino]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 2013269
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 109397668
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 62029005
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 143885849
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675128
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone (CID 113246464) is 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone is CN(CC(=O)c1c[nH]c2ccccc12)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is IBTLCIIDCATNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(11-5-4-6-11)10-15(18)13-9-16-14-8-3-2-7-12(13)14/h2-3,7-9,11,16H,4-6,10H2,1H3.
What are the key properties of 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone?
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 113246464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).