2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone

C17H22N2O — CID 78787776

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESC=C(C)CN(CC)CC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-5-19(10-12(2)3)11-16(20)17-13(4)18-15-9-7-6-8-14(15)17/h6-9,18H,2,5,10-11H2,1,3-4H3
InChIKeyXRTKSKGDCMZQIF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.56
Rot. Bonds6

About 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 78787776) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID78787776
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESC=C(C)CN(CC)CC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-5-19(10-12(2)3)11-16(20)17-13(4)18-15-9-7-6-8-14(15)17/h6-9,18H,2,5,10-11H2,1,3-4H3
InChIKeyXRTKSKGDCMZQIF-UHFFFAOYSA-N
XLogP3.56
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 56526776
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
CID 115771939
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
CID 170645728
CID 170645728
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9196744
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 78787776) is 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone is C=C(C)CN(CC)CC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is XRTKSKGDCMZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-19(10-12(2)3)11-16(20)17-13(4)18-15-9-7-6-8-14(15)17/h6-9,18H,2,5,10-11H2,1,3-4H3.
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 78787776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).