N-butyl-5-methoxy-1H-indole-2-carboxamide

C14H18N2O2 — CID 2742895

IUPACN-butyl-5-methoxy-1H-indole-2-carboxamide
SMILESCCCCNC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-3-4-7-15-14(17)13-9-10-8-11(18-2)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyRJGMEDBQCQLMBH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.71
Rot. Bonds5

About N-butyl-5-methoxy-1H-indole-2-carboxamide

N-butyl-5-methoxy-1H-indole-2-carboxamide (PubChem CID 2742895) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-butyl-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methoxy-1H-indole-2-carboxamide
PubChem CID2742895
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-butyl-5-methoxy-1H-indole-2-carboxamide
SMILESCCCCNC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C14H18N2O2/c1-3-4-7-15-14(17)13-9-10-8-11(18-2)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyRJGMEDBQCQLMBH-UHFFFAOYSA-N
XLogP2.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-butyl-5-methoxy-1H-indole-2-carboxamide (CID 2742895) is N-butyl-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-butyl-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-butyl-5-methoxy-1H-indole-2-carboxamide is CCCCNC(=O)c1cc2cc(OC)ccc2[nH]1.
What is the InChIKey of N-butyl-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is RJGMEDBQCQLMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-7-15-14(17)13-9-10-8-11(18-2)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-5-methoxy-1H-indole-2-carboxamide?
N-butyl-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 2742895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).