2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

C23H34N4O2 — CID 130200497

IUPAC2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C23H34N4O2/c1-24-20(28)16-26-17-22(27(21(26)29)15-18-9-10-18)11-13-23(14-12-22,25(2)3)19-7-5-4-6-8-19/h4-8,18H,9-17H2,1-3H3,(H,24,28)
InChIKeyBVUAELQYZLLBOM-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.65
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 130200497) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
PubChem CID130200497
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O
InChIInChI=1S/C23H34N4O2/c1-24-20(28)16-26-17-22(27(21(26)29)15-18-9-10-18)11-13-23(14-12-22,25(2)3)19-7-5-4-6-8-19/h4-8,18H,9-17H2,1-3H3,(H,24,28)
InChIKeyBVUAELQYZLLBOM-UHFFFAOYSA-N
XLogP2.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 130200497) is 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CC2)C1=O.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The InChIKey is BVUAELQYZLLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-24-20(28)16-26-17-22(27(21(26)29)15-18-9-10-18)11-13-23(14-12-22,25(2)3)19-7-5-4-6-8-19/h4-8,18H,9-17H2,1-3H3,(H,24,28).
What are the key properties of 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide has a molecular weight of 398.55 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 130200497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).