4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

C26H40N4O3 — CID 118666605

IUPAC4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCNC(=O)CNC(=O)C(C)(C)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C26H40N4O3/c1-24(2,23(33)28-18-21(31)27-3)15-16-30-19-25(17-22(30)32)11-13-26(14-12-25,29(4)5)20-9-7-6-8-10-20/h6-10H,11-19H2,1-5H3,(H,27,31)(H,28,33)
InChIKeyNTSVBHIXZBMHPL-UHFFFAOYSA-N
MW456.63 g/mol
LogP2.51
Rot. Bonds8

About 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 118666605) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID118666605
Molecular FormulaC26H40N4O3
Molecular Weight456.63 g/mol
Exact Mass456.31
IUPAC Name4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCNC(=O)CNC(=O)C(C)(C)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C26H40N4O3/c1-24(2,23(33)28-18-21(31)27-3)15-16-30-19-25(17-22(30)32)11-13-26(14-12-25,29(4)5)20-9-7-6-8-10-20/h6-10H,11-19H2,1-5H3,(H,27,31)(H,28,33)
InChIKeyNTSVBHIXZBMHPL-UHFFFAOYSA-N
XLogP2.51
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 118666605) is 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is CNC(=O)CNC(=O)C(C)(C)CCN1CC2(CCC(c3ccccc3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is NTSVBHIXZBMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-24(2,23(33)28-18-21(31)27-3)15-16-30-19-25(17-22(30)32)11-13-26(14-12-25,29(4)5)20-9-7-6-8-10-20/h6-10H,11-19H2,1-5H3,(H,27,31)(H,28,33).
What are the key properties of 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 456.63 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 118666605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).