2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide

C18H20N2O — CID 28578150

IUPAC2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O/c1-13-5-2-3-8-17(13)20-18(21)12-19-16-10-9-14-6-4-7-15(14)11-16/h2-3,5,8-11,19H,4,6-7,12H2,1H3,(H,20,21)
InChIKeyLBUCJVMPILNRMG-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.53
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide

2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide (PubChem CID 28578150) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide
PubChem CID28578150
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O/c1-13-5-2-3-8-17(13)20-18(21)12-19-16-10-9-14-6-4-7-15(14)11-16/h2-3,5,8-11,19H,4,6-7,12H2,1H3,(H,20,21)
InChIKeyLBUCJVMPILNRMG-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide (CID 28578150) is 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide?
The InChIKey is LBUCJVMPILNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-5-2-3-8-17(13)20-18(21)12-19-16-10-9-14-6-4-7-15(14)11-16/h2-3,5,8-11,19H,4,6-7,12H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 28578150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).