N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide

C17H25N3O — CID 21345269

IUPACN-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)CN(C)C(C)C
InChIInChI=1S/C17H25N3O/c1-12(2)20(4)11-15(19-13(3)21)9-14-10-18-17-8-6-5-7-16(14)17/h5-8,10,12,15,18H,9,11H2,1-4H3,(H,19,21)
InChIKeyFZZYRKWXUWDXFW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.56
Rot. Bonds6

About N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide

N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide (PubChem CID 21345269) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
PubChem CID21345269
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)CN(C)C(C)C
InChIInChI=1S/C17H25N3O/c1-12(2)20(4)11-15(19-13(3)21)9-14-10-18-17-8-6-5-7-16(14)17/h5-8,10,12,15,18H,9,11H2,1-4H3,(H,19,21)
InChIKeyFZZYRKWXUWDXFW-UHFFFAOYSA-N
XLogP2.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573513
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 111543245
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
CID 164972019
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl isocyanide
CID 101405165
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 104910967
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide (CID 21345269) is N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)CN(C)C(C)C.
What is the InChIKey of N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
The InChIKey is FZZYRKWXUWDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)20(4)11-15(19-13(3)21)9-14-10-18-17-8-6-5-7-16(14)17/h5-8,10,12,15,18H,9,11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 21345269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).