N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide

C17H25N3O — CID 102916722

IUPACN-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc2ccc(CNCC)cc21
InChIInChI=1S/C17H25N3O/c1-3-5-9-19-17(21)13-20-10-8-15-7-6-14(11-16(15)20)12-18-4-2/h6-8,10-11,18H,3-5,9,12-13H2,1-2H3,(H,19,21)
InChIKeyIMCISLHDVKZPMV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds8

About N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide

N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide (PubChem CID 102916722) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
PubChem CID102916722
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc2ccc(CNCC)cc21
InChIInChI=1S/C17H25N3O/c1-3-5-9-19-17(21)13-20-10-8-15-7-6-14(11-16(15)20)12-18-4-2/h6-8,10-11,18H,3-5,9,12-13H2,1-2H3,(H,19,21)
InChIKeyIMCISLHDVKZPMV-UHFFFAOYSA-N
XLogP2.67
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
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-(methylaminomethyl)indol-1-yl]acetamide
CID 102915746
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915820
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
CID 102916443
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide (CID 102916722) is N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide is CCCCNC(=O)Cn1ccc2ccc(CNCC)cc21.
What is the InChIKey of N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
The InChIKey is IMCISLHDVKZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-5-9-19-17(21)13-20-10-8-15-7-6-14(11-16(15)20)12-18-4-2/h6-8,10-11,18H,3-5,9,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 102916722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).