N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide

C14H20N2O2 — CID 143687092

IUPACN-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCCCCNC(=O)c1c(C)[nH]c2c1CCCC2=O
InChIInChI=1S/C14H20N2O2/c1-3-4-8-15-14(18)12-9(2)16-13-10(12)6-5-7-11(13)17/h16H,3-8H2,1-2H3,(H,15,18)
InChIKeyIRBGFCMNEIUKOR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.37
Rot. Bonds4

About N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide

N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 143687092) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID143687092
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCCCCNC(=O)c1c(C)[nH]c2c1CCCC2=O
InChIInChI=1S/C14H20N2O2/c1-3-4-8-15-14(18)12-9(2)16-13-10(12)6-5-7-11(13)17/h16H,3-8H2,1-2H3,(H,15,18)
InChIKeyIRBGFCMNEIUKOR-UHFFFAOYSA-N
XLogP2.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.37
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-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide (CID 143687092) is N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide is CCCCNC(=O)c1c(C)[nH]c2c1CCCC2=O.
What is the InChIKey of N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is IRBGFCMNEIUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-8-15-14(18)12-9(2)16-13-10(12)6-5-7-11(13)17/h16H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide?
N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 143687092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).