methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

C28H31N3O4 — CID 70246540

About methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate (PubChem CID 70246540) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• PubChem CID: 70246540
• Molecular Formula: C28H31N3O4
• Molecular Weight: 473.57 g/mol
• Exact Mass: 473.23
• IUPAC Name: methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• SMILES: COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccc(OC)c4ccccc34)CC2)C1=O
• InChI: InChI=1S/C28H31N3O4/c1-34-25-13-12-21(23-10-6-7-11-24(23)25)18-29-16-14-28(15-17-29)27(33)30(19-26(32)35-2)20-31(28)22-8-4-3-5-9-22/h3-13H,14-20H2,1-2H3
• InChIKey: RLWZTOKNOYUULF-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 62.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.57
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate (CID 70246540) is methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate is COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccc(OC)c4ccccc34)CC2)C1=O.

What is the InChIKey of methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is RLWZTOKNOYUULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-34-25-13-12-21(23-10-6-7-11-24(23)25)18-29-16-14-28(15-17-29)27(33)30(19-26(32)35-2)20-31(28)22-8-4-3-5-9-22/h3-13H,14-20H2,1-2H3.

What are the key properties of methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 473.57 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[8-[(4-methoxynaphthalen-1-yl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 70246540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).