2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide

C28H43N5O3 — CID 130200571

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide
SMILESCN(C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O)C(C)(C)C(N)=O
InChIInChI=1S/C28H43N5O3/c1-26(2,24(29)35)31(5)23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,30(3)4)22-12-7-6-8-13-22/h6-8,12-13,21H,9-11,14-20H2,1-5H3,(H2,29,35)
InChIKeyDVMARPLIEJOOBA-UHFFFAOYSA-N
MW497.68 g/mol
LogP3.02
Rot. Bonds8

About 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide

2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide (PubChem CID 130200571) has the molecular formula C28H43N5O3 and a molecular weight of 497.68 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide
PubChem CID130200571
Molecular FormulaC28H43N5O3
Molecular Weight497.68 g/mol
Exact Mass497.34
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide
SMILESCN(C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O)C(C)(C)C(N)=O
InChIInChI=1S/C28H43N5O3/c1-26(2,24(29)35)31(5)23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,30(3)4)22-12-7-6-8-13-22/h6-8,12-13,21H,9-11,14-20H2,1-5H3,(H2,29,35)
InChIKeyDVMARPLIEJOOBA-UHFFFAOYSA-N
XLogP3.02
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide (CID 130200571) is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide is CN(C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O)C(C)(C)C(N)=O.
What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide?
The InChIKey is DVMARPLIEJOOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O3/c1-26(2,24(29)35)31(5)23(34)19-32-20-27(33(25(32)36)18-21-10-9-11-21)14-16-28(17-15-27,30(3)4)22-12-7-6-8-13-22/h6-8,12-13,21H,9-11,14-20H2,1-5H3,(H2,29,35).
What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide?
2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide has a molecular weight of 497.68 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-2-methylpropanamide is sourced from PubChem (CID 130200571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).