N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

C28H34N2O4 — CID 35577753

About N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 35577753) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
• PubChem CID: 35577753
• Molecular Formula: C28H34N2O4
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.25
• IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
• SMILES: Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2c1
• InChI: InChI=1S/C28H34N2O4/c1-18-14-19(2)26-22(15-18)24(31)16-25(34-26)27(32)29-17-23(30-10-12-33-13-11-30)20-6-8-21(9-7-20)28(3,4)5/h6-9,14-16,23H,10-13,17H2,1-5H3,(H,29,32)/t23-/m0/s1
• InChIKey: XAFANTIUJXOVPF-QHCPKHFHSA-N
• XLogP: 4.51
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 35577753) is N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2c1.

What is the InChIKey of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

The InChIKey is XAFANTIUJXOVPF-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-18-14-19(2)26-22(15-18)24(31)16-25(34-26)27(32)29-17-23(30-10-12-33-13-11-30)20-6-8-21(9-7-20)28(3,4)5/h6-9,14-16,23H,10-13,17H2,1-5H3,(H,29,32)/t23-/m0/s1.

What are the key properties of N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35577753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).