2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone

C21H24N2O2 — CID 56526776

IUPAC2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCCCN(CC(=O)c1c(C)[nH]c2ccccc12)Cc1ccccc1O
InChIInChI=1S/C21H24N2O2/c1-3-12-23(13-16-8-4-7-11-19(16)24)14-20(25)21-15(2)22-18-10-6-5-9-17(18)21/h4-11,22,24H,3,12-14H2,1-2H3
InChIKeyGEYPABFHUDMHSG-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.28
Rot. Bonds7

About 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 56526776) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID56526776
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCCCN(CC(=O)c1c(C)[nH]c2ccccc12)Cc1ccccc1O
InChIInChI=1S/C21H24N2O2/c1-3-12-23(13-16-8-4-7-11-19(16)24)14-20(25)21-15(2)22-18-10-6-5-9-17(18)21/h4-11,22,24H,3,12-14H2,1-2H3
InChIKeyGEYPABFHUDMHSG-UHFFFAOYSA-N
XLogP4.28
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 78787776
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9196744
(4,6-dimethylpyrimidin-2-yl)-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]cyanamide
CID 942205
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
CID 170645728
CID 170645728
1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone
CID 115146259

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 56526776) is 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone is CCCN(CC(=O)c1c(C)[nH]c2ccccc12)Cc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is GEYPABFHUDMHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-12-23(13-16-8-4-7-11-19(16)24)14-20(25)21-15(2)22-18-10-6-5-9-17(18)21/h4-11,22,24H,3,12-14H2,1-2H3.
What are the key properties of 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 336.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 56526776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).