N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C30H31ClN4O4 — CID 3404690

About N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3404690) has the molecular formula C30H31ClN4O4 and a molecular weight of 547.06 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 3404690
• Molecular Formula: C30H31ClN4O4
• Molecular Weight: 547.06 g/mol
• Exact Mass: 546.20
• IUPAC Name: N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)COCc3ccccc3)CC2)C1=O)Nc1cccc(Cl)c1
• InChI: InChI=1S/C30H31ClN4O4/c31-24-10-7-11-25(18-24)32-27(36)19-34-22-35(26-12-5-2-6-13-26)30(29(34)38)14-16-33(17-15-30)28(37)21-39-20-23-8-3-1-4-9-23/h1-13,18H,14-17,19-22H2,(H,32,36)
• InChIKey: LIVRZBGGPAFGKU-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.06
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3404690) is N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)COCc3ccccc3)CC2)C1=O)Nc1cccc(Cl)c1.

What is the InChIKey of N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is LIVRZBGGPAFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O4/c31-24-10-7-11-25(18-24)32-27(36)19-34-22-35(26-12-5-2-6-13-26)30(29(34)38)14-16-33(17-15-30)28(37)21-39-20-23-8-3-1-4-9-23/h1-13,18H,14-17,19-22H2,(H,32,36).

What are the key properties of N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 547.06 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3404690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).