N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide

C16H23N3O — CID 102915746

IUPACN-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc2cc(CNC)ccc21
InChIInChI=1S/C16H23N3O/c1-3-4-8-18-16(20)12-19-9-7-14-10-13(11-17-2)5-6-15(14)19/h5-7,9-10,17H,3-4,8,11-12H2,1-2H3,(H,18,20)
InChIKeyRMRUIRMBSMLHLR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds7

About N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide

N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide (PubChem CID 102915746) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
PubChem CID102915746
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc2cc(CNC)ccc21
InChIInChI=1S/C16H23N3O/c1-3-4-8-18-16(20)12-19-9-7-14-10-13(11-17-2)5-6-15(14)19/h5-7,9-10,17H,3-4,8,11-12H2,1-2H3,(H,18,20)
InChIKeyRMRUIRMBSMLHLR-UHFFFAOYSA-N
XLogP2.28
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
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

N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915820
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
CID 102915421
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
CID 102916232
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide (CID 102915746) is N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide is CCCCNC(=O)Cn1ccc2cc(CNC)ccc21.
What is the InChIKey of N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
The InChIKey is RMRUIRMBSMLHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-4-8-18-16(20)12-19-9-7-14-10-13(11-17-2)5-6-15(14)19/h5-7,9-10,17H,3-4,8,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide?
N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 102915746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).