N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide

C26H30N2O4 — CID 162121453

IUPACN-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC2=O.CCCCC1Cc2cc(NC(C)=O)ccc2C1=O
InChIInChI=1S/C15H19NO2.C11H11NO2/c1-3-4-5-11-8-12-9-13(16-10(2)17)6-7-14(12)15(11)18;1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17);3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyZHLRTDQDYALVFU-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.96
Rot. Bonds5

About N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide

N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide (PubChem CID 162121453) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
PubChem CID162121453
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC2=O.CCCCC1Cc2cc(NC(C)=O)ccc2C1=O
InChIInChI=1S/C15H19NO2.C11H11NO2/c1-3-4-5-11-8-12-9-13(16-10(2)17)6-7-14(12)15(11)18;1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17);3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyZHLRTDQDYALVFU-UHFFFAOYSA-N
XLogP4.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide?
The IUPAC name of N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide (CID 162121453) is N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide.
What is the SMILES notation for N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide?
The canonical SMILES for N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)CCC2=O.CCCCC1Cc2cc(NC(C)=O)ccc2C1=O.
What is the InChIKey of N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide?
The InChIKey is ZHLRTDQDYALVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.C11H11NO2/c1-3-4-5-11-8-12-9-13(16-10(2)17)6-7-14(12)15(11)18;1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17);3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide?
N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide is sourced from PubChem (CID 162121453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).