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

C26H39N5O3 — CID 130200478

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(=O)N(C)C)C(=O)N2CC1CCC1
InChIInChI=1S/C26H39N5O3/c1-27-26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-22(32)28-16-23(33)29(2)3)24(34)31(25)17-20-8-7-9-20/h4-6,10-11,20,27H,7-9,12-19H2,1-3H3,(H,28,32)
InChIKeyFSQOKHXGVKIXIY-UHFFFAOYSA-N
MW469.63 g/mol
LogP2.16
Rot. Bonds8

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

2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide (PubChem CID 130200478) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide
PubChem CID130200478
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(=O)N(C)C)C(=O)N2CC1CCC1
InChIInChI=1S/C26H39N5O3/c1-27-26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-22(32)28-16-23(33)29(2)3)24(34)31(25)17-20-8-7-9-20/h4-6,10-11,20,27H,7-9,12-19H2,1-3H3,(H,28,32)
InChIKeyFSQOKHXGVKIXIY-UHFFFAOYSA-N
XLogP2.16
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide (CID 130200478) is 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide is CNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(=O)N(C)C)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is FSQOKHXGVKIXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-27-26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-30(18-22(32)28-16-23(33)29(2)3)24(34)31(25)17-20-8-7-9-20/h4-6,10-11,20,27H,7-9,12-19H2,1-3H3,(H,28,32).
What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide?
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 469.63 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 130200478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).