3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C28H37N5O3 — CID 24717134

About 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 24717134) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 24717134
• Molecular Formula: C28H37N5O3
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.29
• IUPAC Name: 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• SMILES: CN(Cc1ccccc1)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC(C)(C)C)CC2)C1=O
• InChI: InChI=1S/C28H37N5O3/c1-27(2,3)29-26(36)31-17-15-28(16-18-31)25(35)32(21-33(28)23-13-9-6-10-14-23)20-24(34)30(4)19-22-11-7-5-8-12-22/h5-14H,15-21H2,1-4H3,(H,29,36)
• InChIKey: GGGSPZKSXHOYQA-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 76.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 24717134) is 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CN(Cc1ccccc1)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC(C)(C)C)CC2)C1=O.

What is the InChIKey of 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The InChIKey is GGGSPZKSXHOYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-27(2,3)29-26(36)31-17-15-28(16-18-31)25(35)32(21-33(28)23-13-9-6-10-14-23)20-24(34)30(4)19-22-11-7-5-8-12-22/h5-14H,15-21H2,1-4H3,(H,29,36).

What are the key properties of 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-tert-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24717134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).