N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide

C18H20N2O3 — CID 94817711

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide (PubChem CID 94817711) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide
• PubChem CID: 94817711
• Molecular Formula: C18H20N2O3
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.15
• IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide
• SMILES: C[C@@](C#N)(NC(=O)COc1ccc2c(c1)CCCC2=O)C1CC1
• InChI: InChI=1S/C18H20N2O3/c1-18(11-19,13-5-6-13)20-17(22)10-23-14-7-8-15-12(9-14)3-2-4-16(15)21/h7-9,13H,2-6,10H2,1H3,(H,20,22)/t18-/m0/s1
• InChIKey: DHBLOMVNKOLFEY-SFHVURJKSA-N
• XLogP: 2.39
• TPSA: 79.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide?

The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide (CID 94817711) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide.

What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide?

The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide is C[C@@](C#N)(NC(=O)COc1ccc2c(c1)CCCC2=O)C1CC1.

What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide?

The InChIKey is DHBLOMVNKOLFEY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(11-19,13-5-6-13)20-17(22)10-23-14-7-8-15-12(9-14)3-2-4-16(15)21/h7-9,13H,2-6,10H2,1H3,(H,20,22)/t18-/m0/s1.

What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide?

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]acetamide is sourced from PubChem (CID 94817711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).