2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide

C17H17NO — CID 57148224

IUPAC2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide
SMILESCC1=Cc2cc3c(cc2=C1NC(=O)C(C)C)C=CC=3
InChIInChI=1S/C17H17NO/c1-10(2)17(19)18-16-11(3)7-14-8-12-5-4-6-13(12)9-15(14)16/h4-10H,1-3H3,(H,18,19)
InChIKeyNVDZVFKTEWMJEJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide

2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide (PubChem CID 57148224) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide
PubChem CID57148224
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide
SMILESCC1=Cc2cc3c(cc2=C1NC(=O)C(C)C)C=CC=3
InChIInChI=1S/C17H17NO/c1-10(2)17(19)18-16-11(3)7-14-8-12-5-4-6-13(12)9-15(14)16/h4-10H,1-3H3,(H,18,19)
InChIKeyNVDZVFKTEWMJEJ-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide (CID 57148224) is 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide is CC1=Cc2cc3c(cc2=C1NC(=O)C(C)C)C=CC=3.
What is the InChIKey of 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide?
The InChIKey is NVDZVFKTEWMJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-10(2)17(19)18-16-11(3)7-14-8-12-5-4-6-13(12)9-15(14)16/h4-10H,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide?
2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-s-indacen-1-yl)propanamide is sourced from PubChem (CID 57148224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).