3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

C27H34N2O3 — CID 35577586

About 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 35577586) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 35577586
• Molecular Formula: C27H34N2O3
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.26
• IUPAC Name: 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)oc2c1
• InChI: InChI=1S/C27H34N2O3/c1-17(2)21-6-8-22(9-7-21)23(29-10-12-31-13-11-29)16-28-27(30)26-20(5)25-19(4)14-18(3)15-24(25)32-26/h6-9,14-15,17,23H,10-13,16H2,1-5H3,(H,28,30)/t23-/m0/s1
• InChIKey: AQPZBUXHSGIMKQ-QHCPKHFHSA-N
• XLogP: 5.28
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 35577586) is 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)oc2c1.

What is the InChIKey of 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?

The InChIKey is AQPZBUXHSGIMKQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-17(2)21-6-8-22(9-7-21)23(29-10-12-31-13-11-29)16-28-27(30)26-20(5)25-19(4)14-18(3)15-24(25)32-26/h6-9,14-15,17,23H,10-13,16H2,1-5H3,(H,28,30)/t23-/m0/s1.

What are the key properties of 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?

3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35577586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).