3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C29H39N5O3 — CID 4089717

About 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 4089717) has the molecular formula C29H39N5O3 and a molecular weight of 505.66 g/mol. Its IUPAC name is 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 4089717
• Molecular Formula: C29H39N5O3
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.31
• IUPAC Name: 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• SMILES: CCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)C1=O
• InChI: InChI=1S/C29H39N5O3/c1-5-31(6-2)26(35)20-33-21-34(25-10-8-7-9-11-25)29(27(33)36)16-18-32(19-17-29)28(37)30-24-14-12-23(13-15-24)22(3)4/h7-15,22H,5-6,16-21H2,1-4H3,(H,30,37)
• InChIKey: HRMNUCCUIYBGDJ-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 76.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 4089717) is 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

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

The canonical SMILES for 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)C1=O.

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

The InChIKey is HRMNUCCUIYBGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O3/c1-5-31(6-2)26(35)20-33-21-34(25-10-8-7-9-11-25)29(27(33)36)16-18-32(19-17-29)28(37)30-24-14-12-23(13-15-24)22(3)4/h7-15,22H,5-6,16-21H2,1-4H3,(H,30,37).

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

3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 505.66 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 4089717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).