N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide

C14H16N2O2 — CID 3149449

IUPACN-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)13(17)11-9-16-12-7-5-4-6-10(11)12/h4-7,9,16H,2-3,8H2,1H3,(H,15,18)
InChIKeyXTLXOIBNXHXNBR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds5

About N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide

N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 3149449) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID3149449
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)13(17)11-9-16-12-7-5-4-6-10(11)12/h4-7,9,16H,2-3,8H2,1H3,(H,15,18)
InChIKeyXTLXOIBNXHXNBR-UHFFFAOYSA-N
XLogP2.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide (CID 3149449) is N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide is CCCCNC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is XTLXOIBNXHXNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)13(17)11-9-16-12-7-5-4-6-10(11)12/h4-7,9,16H,2-3,8H2,1H3,(H,15,18).
What are the key properties of N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide?
N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 244.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 3149449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).