N-butyl-3-formylindole-1-carboxamide

C14H16N2O2 — CID 165356869

IUPACN-butyl-3-formylindole-1-carboxamide
SMILESCCCCNC(=O)n1cc(C=O)c2ccccc21
InChIInChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)16-9-11(10-17)12-6-4-5-7-13(12)16/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)
InChIKeyDOAIOUKLIWOPIZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.81
Rot. Bonds4

About N-butyl-3-formylindole-1-carboxamide

N-butyl-3-formylindole-1-carboxamide (PubChem CID 165356869) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-butyl-3-formylindole-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-formylindole-1-carboxamide
PubChem CID165356869
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-butyl-3-formylindole-1-carboxamide
SMILESCCCCNC(=O)n1cc(C=O)c2ccccc21
InChIInChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)16-9-11(10-17)12-6-4-5-7-13(12)16/h4-7,9-10H,2-3,8H2,1H3,(H,15,18)
InChIKeyDOAIOUKLIWOPIZ-UHFFFAOYSA-N
XLogP2.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-formylindole-1-carboxamide?
The IUPAC name of N-butyl-3-formylindole-1-carboxamide (CID 165356869) is N-butyl-3-formylindole-1-carboxamide.
What is the SMILES notation for N-butyl-3-formylindole-1-carboxamide?
The canonical SMILES for N-butyl-3-formylindole-1-carboxamide is CCCCNC(=O)n1cc(C=O)c2ccccc21.
What is the InChIKey of N-butyl-3-formylindole-1-carboxamide?
The InChIKey is DOAIOUKLIWOPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)16-9-11(10-17)12-6-4-5-7-13(12)16/h4-7,9-10H,2-3,8H2,1H3,(H,15,18).
What are the key properties of N-butyl-3-formylindole-1-carboxamide?
N-butyl-3-formylindole-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-formylindole-1-carboxamide is sourced from PubChem (CID 165356869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).