N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide

C16H21NO2 — CID 110677605

IUPACN-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)c2cccc(C)c21
InChIInChI=1S/C16H21NO2/c1-4-5-9-17(3)16(19)13-10-14(18)12-8-6-7-11(2)15(12)13/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyAFHXLBJWIFRKAR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds4

About N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide

N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 110677605) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID110677605
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)c2cccc(C)c21
InChIInChI=1S/C16H21NO2/c1-4-5-9-17(3)16(19)13-10-14(18)12-8-6-7-11(2)15(12)13/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyAFHXLBJWIFRKAR-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 110677605) is N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide is CCCCN(C)C(=O)C1CC(=O)c2cccc(C)c21.
What is the InChIKey of N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is AFHXLBJWIFRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-5-9-17(3)16(19)13-10-14(18)12-8-6-7-11(2)15(12)13/h6-8,13H,4-5,9-10H2,1-3H3.
What are the key properties of N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,7-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 110677605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).