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

C30H46N4O3 — CID 4175141

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

N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 4175141) has the molecular formula C30H46N4O3 and a molecular weight of 510.72 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 4175141
• Molecular Formula: C30H46N4O3
• Molecular Weight: 510.72 g/mol
• Exact Mass: 510.36
• IUPAC Name: N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC1CCCCC1)CN2c1ccccc1
• InChI: InChI=1S/C30H46N4O3/c1-3-5-14-25(4-2)28(36)32-19-17-30(18-20-32)29(37)33(23-34(30)26-15-10-7-11-16-26)22-27(35)31-21-24-12-8-6-9-13-24/h7,10-11,15-16,24-25H,3-6,8-9,12-14,17-23H2,1-2H3,(H,31,35)
• InChIKey: AHNRDEVYNQYDSH-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.72
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 4175141) is N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

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

The canonical SMILES for N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC1CCCCC1)CN2c1ccccc1.

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

The InChIKey is AHNRDEVYNQYDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O3/c1-3-5-14-25(4-2)28(36)32-19-17-30(18-20-32)29(37)33(23-34(30)26-15-10-7-11-16-26)22-27(35)31-21-24-12-8-6-9-13-24/h7,10-11,15-16,24-25H,3-6,8-9,12-14,17-23H2,1-2H3,(H,31,35).

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

N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 510.72 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 4175141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).