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

C27H42N4O4 — CID 130201087

IUPAC3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O
InChIInChI=1S/C27H42N4O4/c1-29(2)27(22-8-5-4-6-9-22)15-13-25(14-16-27)20-30(18-10-23(32)28-17-19-35-3)24(33)31(25)21-26(34)11-7-12-26/h4-6,8-9,34H,7,10-21H2,1-3H3,(H,28,32)
InChIKeyOCGDWBULAHAXCS-UHFFFAOYSA-N
MW486.66 g/mol
LogP2.56
Rot. Bonds10

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

3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 130201087) has the molecular formula C27H42N4O4 and a molecular weight of 486.66 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide
PubChem CID130201087
Molecular FormulaC27H42N4O4
Molecular Weight486.66 g/mol
Exact Mass486.32
IUPAC Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O
InChIInChI=1S/C27H42N4O4/c1-29(2)27(22-8-5-4-6-9-22)15-13-25(14-16-27)20-30(18-10-23(32)28-17-19-35-3)24(33)31(25)21-26(34)11-7-12-26/h4-6,8-9,34H,7,10-21H2,1-3H3,(H,28,32)
InChIKeyOCGDWBULAHAXCS-UHFFFAOYSA-N
XLogP2.56
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 52.56
H-Bond Donors ≤ 52
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 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide (CID 130201087) is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O.
What is the InChIKey of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is OCGDWBULAHAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O4/c1-29(2)27(22-8-5-4-6-9-22)15-13-25(14-16-27)20-30(18-10-23(32)28-17-19-35-3)24(33)31(25)21-26(34)11-7-12-26/h4-6,8-9,34H,7,10-21H2,1-3H3,(H,28,32).
What are the key properties of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide?
3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 486.66 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 130201087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).