N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide

C14H20N2O — CID 6469447

IUPACN-butyl-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCCCNC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H20N2O/c1-3-4-9-15-14(17)16-11(2)10-12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDSTZGTMWHFCETE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.95
Rot. Bonds3

About N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide

N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 6469447) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID6469447
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-butyl-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCCCCNC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H20N2O/c1-3-4-9-15-14(17)16-11(2)10-12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDSTZGTMWHFCETE-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide (CID 6469447) is N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide is CCCCNC(=O)N1c2ccccc2CC1C.
What is the InChIKey of N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is DSTZGTMWHFCETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-9-15-14(17)16-11(2)10-12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide?
N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 6469447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).