N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide

C16H23N3O — CID 62845640

IUPACN-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C16H23N3O/c1-16(2,17-3)15(20)18-10-6-11-19-12-9-13-7-4-5-8-14(13)19/h4-5,7-9,12,17H,6,10-11H2,1-3H3,(H,18,20)
InChIKeyHLMGTBYBUQPDFX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.15
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide

N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62845640) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
PubChem CID62845640
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C16H23N3O/c1-16(2,17-3)15(20)18-10-6-11-19-12-9-13-7-4-5-8-14(13)19/h4-5,7-9,12,17H,6,10-11H2,1-3H3,(H,18,20)
InChIKeyHLMGTBYBUQPDFX-UHFFFAOYSA-N
XLogP2.15
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
tert-butyl N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111341670
[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate
CID 59128612
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111341271
1-[2-(tert-butylamino)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111766146
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide (CID 62845640) is N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is HLMGTBYBUQPDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,17-3)15(20)18-10-6-11-19-12-9-13-7-4-5-8-14(13)19/h4-5,7-9,12,17H,6,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide?
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62845640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).