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

C28H44N4O3 — CID 3638117

IUPACN-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC(C)CC)CN2c1ccccc1
InChIInChI=1S/C28H44N4O3/c1-4-6-7-8-12-15-26(34)30-18-16-28(17-19-30)27(35)31(21-25(33)29-20-23(3)5-2)22-32(28)24-13-10-9-11-14-24/h9-11,13-14,23H,4-8,12,15-22H2,1-3H3,(H,29,33)
InChIKeyXQCDIONJKHXFIP-UHFFFAOYSA-N
MW484.69 g/mol
LogP4.18
Rot. Bonds12

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

N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 3638117) has the molecular formula C28H44N4O3 and a molecular weight of 484.69 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
PubChem CID3638117
Molecular FormulaC28H44N4O3
Molecular Weight484.69 g/mol
Exact Mass484.34
IUPAC NameN-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC(C)CC)CN2c1ccccc1
InChIInChI=1S/C28H44N4O3/c1-4-6-7-8-12-15-26(34)30-18-16-28(17-19-30)27(35)31(21-25(33)29-20-23(3)5-2)22-32(28)24-13-10-9-11-14-24/h9-11,13-14,23H,4-8,12,15-22H2,1-3H3,(H,29,33)
InChIKeyXQCDIONJKHXFIP-UHFFFAOYSA-N
XLogP4.18
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(8-heptanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-methylbutyl)acetamide
CID 5220880
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977
2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(1-phenylethyl)acetamide
CID 4038360
N-(3-ethoxypropyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42773681
N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5131044
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-heptanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3619702
N-(4-fluorophenyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 4266289
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-butan-2-ylacetamide
CID 3666781
2-[8-(3,5-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methylbutyl)acetamide
CID 4199118
N-(3,4-dimethylphenyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 3536256
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 4186547
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-8-octanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4115667

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (CID 3638117) is N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is CCCCCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCC(C)CC)CN2c1ccccc1.
What is the InChIKey of N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is XQCDIONJKHXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O3/c1-4-6-7-8-12-15-26(34)30-18-16-28(17-19-30)27(35)31(21-25(33)29-20-23(3)5-2)22-32(28)24-13-10-9-11-14-24/h9-11,13-14,23H,4-8,12,15-22H2,1-3H3,(H,29,33).
What are the key properties of N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 484.69 g/mol, XLogP of 4.18, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 3638117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).