N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide

C24H25NO3 — CID 26278177

About N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide

N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide (PubChem CID 26278177) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide
• PubChem CID: 26278177
• Molecular Formula: C24H25NO3
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.18
• IUPAC Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide
• SMILES: CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C1=CCCCC1)O2
• InChI: InChI=1S/C24H25NO3/c1-16(26)21-9-5-6-10-22(21)18-11-12-23-19(13-18)14-20(28-23)15-25-24(27)17-7-3-2-4-8-17/h5-7,9-13,20H,2-4,8,14-15H2,1H3,(H,25,27)/t20-/m0/s1
• InChIKey: MTHNDDOELCDOBH-FQEVSTJZSA-N
• XLogP: 4.48
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide?

The IUPAC name of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide (CID 26278177) is N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide.

What is the SMILES notation for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide?

The canonical SMILES for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide is CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C1=CCCCC1)O2.

What is the InChIKey of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide?

The InChIKey is MTHNDDOELCDOBH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25NO3/c1-16(26)21-9-5-6-10-22(21)18-11-12-23-19(13-18)14-20(28-23)15-25-24(27)17-7-3-2-4-8-17/h5-7,9-13,20H,2-4,8,14-15H2,1H3,(H,25,27)/t20-/m0/s1.

What are the key properties of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide?

N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 26278177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).