N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C28H35N5O5 — CID 4540647

About N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 4540647) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 4540647
• Molecular Formula: C28H35N5O5
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.26
• IUPAC Name: N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• SMILES: CCOc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1
• InChI: InChI=1S/C28H35N5O5/c1-2-38-24-11-7-6-10-23(24)29-27(36)31-14-12-28(13-15-31)26(35)32(20-25(34)30-16-18-37-19-17-30)21-33(28)22-8-4-3-5-9-22/h3-11H,2,12-21H2,1H3,(H,29,36)
• InChIKey: VSOLYCDPHOPYQT-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 94.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 4540647) is N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CCOc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1.

What is the InChIKey of N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The InChIKey is VSOLYCDPHOPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-2-38-24-11-7-6-10-23(24)29-27(36)31-14-12-28(13-15-31)26(35)32(20-25(34)30-16-18-37-19-17-30)21-33(28)22-8-4-3-5-9-22/h3-11H,2,12-21H2,1H3,(H,29,36).

What are the key properties of N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 4540647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).