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

C15H20N2O2 — CID 102912501

IUPACN-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C15H20N2O2/c1-2-3-7-16-15(19)10-17-8-6-13-9-12(11-18)4-5-14(13)17/h4-6,8-9,18H,2-3,7,10-11H2,1H3,(H,16,19)
InChIKeyBPDQEEAXEAMFRN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds6

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

N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide (PubChem CID 102912501) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
PubChem CID102912501
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C15H20N2O2/c1-2-3-7-16-15(19)10-17-8-6-13-9-12(11-18)4-5-14(13)17/h4-6,8-9,18H,2-3,7,10-11H2,1H3,(H,16,19)
InChIKeyBPDQEEAXEAMFRN-UHFFFAOYSA-N
XLogP2.05
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
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-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
(1-butylindol-5-yl)methanol
CID 102912394
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915820
2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
CID 102915421

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide (CID 102912501) is N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide is CCCCNC(=O)Cn1ccc2cc(CO)ccc21.
What is the InChIKey of N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide?
The InChIKey is BPDQEEAXEAMFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-7-16-15(19)10-17-8-6-13-9-12(11-18)4-5-14(13)17/h4-6,8-9,18H,2-3,7,10-11H2,1H3,(H,16,19).
What are the key properties of N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide?
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide is sourced from PubChem (CID 102912501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).