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

C29H45N5O3 — CID 130200656

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C29H45N5O3/c1-27(2,25(36)30-3)32(6)24(35)20-33-21-28(34(26(33)37)19-22-11-10-12-22)15-17-29(18-16-28,31(4)5)23-13-8-7-9-14-23/h7-9,13-14,22H,10-12,15-21H2,1-6H3,(H,30,36)
InChIKeyJQDYQMRIORKODR-UHFFFAOYSA-N
MW511.71 g/mol
LogP3.28
Rot. Bonds8

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

2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 130200656) has the molecular formula C29H45N5O3 and a molecular weight of 511.71 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]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID130200656
Molecular FormulaC29H45N5O3
Molecular Weight511.71 g/mol
Exact Mass511.35
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C29H45N5O3/c1-27(2,25(36)30-3)32(6)24(35)20-33-21-28(34(26(33)37)19-22-11-10-12-22)15-17-29(18-16-28,31(4)5)23-13-8-7-9-14-23/h7-9,13-14,22H,10-12,15-21H2,1-6H3,(H,30,36)
InChIKeyJQDYQMRIORKODR-UHFFFAOYSA-N
XLogP3.28
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.71
LogP ≤ 53.28
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]-N,2-dimethylpropanamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide (CID 130200656) is 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide.
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]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)N(C)C(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=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]-N,2-dimethylpropanamide?
The InChIKey is JQDYQMRIORKODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N5O3/c1-27(2,25(36)30-3)32(6)24(35)20-33-21-28(34(26(33)37)19-22-11-10-12-22)15-17-29(18-16-28,31(4)5)23-13-8-7-9-14-23/h7-9,13-14,22H,10-12,15-21H2,1-6H3,(H,30,36).
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]-N,2-dimethylpropanamide?
2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 511.71 g/mol, XLogP of 3.28, 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]-N,2-dimethylpropanamide is sourced from PubChem (CID 130200656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).