2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide

C25H38N4O4 — CID 130200696

IUPAC2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCOC)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H38N4O4/c1-26-25(20-7-4-3-5-8-20)13-11-23(12-14-25)18-28(17-21(30)27-15-16-33-2)22(31)29(23)19-24(32)9-6-10-24/h3-5,7-8,26,32H,6,9-19H2,1-2H3,(H,27,30)
InChIKeyUSLIMGGVJCKXHQ-UHFFFAOYSA-N
MW458.60 g/mol
LogP1.83
Rot. Bonds9

About 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide

2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 130200696) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
PubChem CID130200696
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC Name2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCOC)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H38N4O4/c1-26-25(20-7-4-3-5-8-20)13-11-23(12-14-25)18-28(17-21(30)27-15-16-33-2)22(31)29(23)19-24(32)9-6-10-24/h3-5,7-8,26,32H,6,9-19H2,1-2H3,(H,27,30)
InChIKeyUSLIMGGVJCKXHQ-UHFFFAOYSA-N
XLogP1.83
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide (CID 130200696) is 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide is CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCOC)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is USLIMGGVJCKXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-26-25(20-7-4-3-5-8-20)13-11-23(12-14-25)18-28(17-21(30)27-15-16-33-2)22(31)29(23)19-24(32)9-6-10-24/h3-5,7-8,26,32H,6,9-19H2,1-2H3,(H,27,30).
What are the key properties of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?
2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 458.60 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 130200696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).