5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide

C27H40N4O3 — CID 157453340

IUPAC5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1(C)CCC1
InChIInChI=1S/C27H40N4O3/c1-25(12-7-13-25)19-31-24(34)30(18-22(32)10-11-23(28)33)20-26(31)14-16-27(17-15-26,29(2)3)21-8-5-4-6-9-21/h4-6,8-9H,7,10-20H2,1-3H3,(H2,28,33)
InChIKeyRKFLTVYEDCCFDX-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.52
Rot. Bonds9

About 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide

5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide (PubChem CID 157453340) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide.

Molecular Properties

Compound Name5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide
PubChem CID157453340
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1(C)CCC1
InChIInChI=1S/C27H40N4O3/c1-25(12-7-13-25)19-31-24(34)30(18-22(32)10-11-23(28)33)20-26(31)14-16-27(17-15-26,29(2)3)21-8-5-4-6-9-21/h4-6,8-9H,7,10-20H2,1-3H3,(H2,28,33)
InChIKeyRKFLTVYEDCCFDX-UHFFFAOYSA-N
XLogP3.52
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide?
The IUPAC name of 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide (CID 157453340) is 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide.
What is the SMILES notation for 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide?
The canonical SMILES for 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC(N)=O)C(=O)N2CC1(C)CCC1.
What is the InChIKey of 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide?
The InChIKey is RKFLTVYEDCCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-25(12-7-13-25)19-31-24(34)30(18-22(32)10-11-23(28)33)20-26(31)14-16-27(17-15-26,29(2)3)21-8-5-4-6-9-21/h4-6,8-9H,7,10-20H2,1-3H3,(H2,28,33).
What are the key properties of 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide?
5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide has a molecular weight of 468.64 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide is sourced from PubChem (CID 157453340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).