N-[4-(1H-indol-3-yl)butyl]acetamide

C14H18N2O — CID 132534601

IUPACN-[4-(1H-indol-3-yl)butyl]acetamide
SMILESCC(=O)NCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-11(17)15-9-5-4-6-12-10-16-14-8-3-2-7-13(12)14/h2-3,7-8,10,16H,4-6,9H2,1H3,(H,15,17)
InChIKeyOFUPXWCHPDKWPX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.63
Rot. Bonds5

About N-[4-(1H-indol-3-yl)butyl]acetamide

N-[4-(1H-indol-3-yl)butyl]acetamide (PubChem CID 132534601) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)butyl]acetamide
PubChem CID132534601
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[4-(1H-indol-3-yl)butyl]acetamide
SMILESCC(=O)NCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-11(17)15-9-5-4-6-12-10-16-14-8-3-2-7-13(12)14/h2-3,7-8,10,16H,4-6,9H2,1H3,(H,15,17)
InChIKeyOFUPXWCHPDKWPX-UHFFFAOYSA-N
XLogP2.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(6-acetamidohexyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 10091557
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
S-[4-(1H-indol-3-yl)butyl] ethanethioate
CID 125470849
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
3-heptyl-1H-indole
CID 15360907
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)butyl]acetamide?
The IUPAC name of N-[4-(1H-indol-3-yl)butyl]acetamide (CID 132534601) is N-[4-(1H-indol-3-yl)butyl]acetamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)butyl]acetamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)butyl]acetamide is CC(=O)NCCCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[4-(1H-indol-3-yl)butyl]acetamide?
The InChIKey is OFUPXWCHPDKWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(17)15-9-5-4-6-12-10-16-14-8-3-2-7-13(12)14/h2-3,7-8,10,16H,4-6,9H2,1H3,(H,15,17).
What are the key properties of N-[4-(1H-indol-3-yl)butyl]acetamide?
N-[4-(1H-indol-3-yl)butyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)butyl]acetamide is sourced from PubChem (CID 132534601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).