(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H22N2O2 — CID 95769801

About (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95769801) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 95769801
• Molecular Formula: C19H22N2O2
• Molecular Weight: 310.40 g/mol
• Exact Mass: 310.17
• IUPAC Name: (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: Cc1cccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(C)C
• InChI: InChI=1S/C19H22N2O2/c1-12(2)17(18-13(3)7-6-10-20-18)21-19(22)16-11-14-8-4-5-9-15(14)23-16/h4-10,12,16-17H,11H2,1-3H3,(H,21,22)/t16-,17+/m1/s1
• InChIKey: FVFZQZJWNUPJGE-SJORKVTESA-N
• XLogP: 3.21
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.40
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95769801) is (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1cccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(C)C.

What is the InChIKey of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is FVFZQZJWNUPJGE-SJORKVTESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12(2)17(18-13(3)7-6-10-20-18)21-19(22)16-11-14-8-4-5-9-15(14)23-16/h4-10,12,16-17H,11H2,1-3H3,(H,21,22)/t16-,17+/m1/s1.

What are the key properties of (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95769801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).