2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

C28H42N4O3 — CID 130249867

IUPAC2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCCC(C)CC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O3/c1-3-21(2)16-27(23-10-5-4-6-11-23)12-14-28(15-13-27)20-31(19-25(34)30-17-24(29)33)26(35)32(28)18-22-8-7-9-22/h4-6,10-11,21-22H,3,7-9,12-20H2,1-2H3,(H2,29,33)(H,30,34)
InChIKeyCDYUOTNORDBXNP-UHFFFAOYSA-N
MW482.67 g/mol
LogP3.81
Rot. Bonds10

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

2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (PubChem CID 130249867) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
PubChem CID130249867
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCCC(C)CC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O3/c1-3-21(2)16-27(23-10-5-4-6-11-23)12-14-28(15-13-27)20-31(19-25(34)30-17-24(29)33)26(35)32(28)18-22-8-7-9-22/h4-6,10-11,21-22H,3,7-9,12-20H2,1-2H3,(H2,29,33)(H,30,34)
InChIKeyCDYUOTNORDBXNP-UHFFFAOYSA-N
XLogP3.81
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (CID 130249867) is 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is CCC(C)CC1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC(N)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The InChIKey is CDYUOTNORDBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-3-21(2)16-27(23-10-5-4-6-11-23)12-14-28(15-13-27)20-31(19-25(34)30-17-24(29)33)26(35)32(28)18-22-8-7-9-22/h4-6,10-11,21-22H,3,7-9,12-20H2,1-2H3,(H2,29,33)(H,30,34).
What are the key properties of 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide has a molecular weight of 482.67 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(cyclobutylmethyl)-8-(2-methylbutyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is sourced from PubChem (CID 130249867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).