N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide

C18H17NO — CID 3837908

IUPACN-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide
SMILESCC(=O)NC1C(c2ccccc2)=Cc2cc(C)ccc21
InChIInChI=1S/C18H17NO/c1-12-8-9-16-15(10-12)11-17(18(16)19-13(2)20)14-6-4-3-5-7-14/h3-11,18H,1-2H3,(H,19,20)
InChIKeySPQILRIGSKUOLX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.73
Rot. Bonds2

About N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide

N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide (PubChem CID 3837908) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide
PubChem CID3837908
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide
SMILESCC(=O)NC1C(c2ccccc2)=Cc2cc(C)ccc21
InChIInChI=1S/C18H17NO/c1-12-8-9-16-15(10-12)11-17(18(16)19-13(2)20)14-6-4-3-5-7-14/h3-11,18H,1-2H3,(H,19,20)
InChIKeySPQILRIGSKUOLX-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide?
The IUPAC name of N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide (CID 3837908) is N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide is CC(=O)NC1C(c2ccccc2)=Cc2cc(C)ccc21.
What is the InChIKey of N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide?
The InChIKey is SPQILRIGSKUOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-8-9-16-15(10-12)11-17(18(16)19-13(2)20)14-6-4-3-5-7-14/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide?
N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenyl-1H-inden-1-yl)acetamide is sourced from PubChem (CID 3837908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).