N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide

C15H18N2O3 — CID 131940009

IUPACN-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCC(CC(N)=O)N(C)C(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C15H18N2O3/c1-9(8-14(16)19)17(2)15(20)12-5-3-4-11-10(12)6-7-13(11)18/h3-5,9H,6-8H2,1-2H3,(H2,16,19)
InChIKeyQBBRXBLZAMPLQT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.15
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide

N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide (PubChem CID 131940009) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
PubChem CID131940009
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCC(CC(N)=O)N(C)C(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C15H18N2O3/c1-9(8-14(16)19)17(2)15(20)12-5-3-4-11-10(12)6-7-13(11)18/h3-5,9H,6-8H2,1-2H3,(H2,16,19)
InChIKeyQBBRXBLZAMPLQT-UHFFFAOYSA-N
XLogP1.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide (CID 131940009) is N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide is CC(CC(N)=O)N(C)C(=O)c1cccc2c1CCC2=O.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide?
The InChIKey is QBBRXBLZAMPLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(8-14(16)19)17(2)15(20)12-5-3-4-11-10(12)6-7-13(11)18/h3-5,9H,6-8H2,1-2H3,(H2,16,19).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide is sourced from PubChem (CID 131940009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).