2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide

C26H40N4O3 — CID 130200460

IUPAC2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1
InChIInChI=1S/C26H40N4O3/c1-3-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(32)27-16-17-31)24(33)30(25)18-21-8-7-9-21/h4-6,10-11,21,31H,3,7-9,12-20H2,1-2H3,(H,27,32)
InChIKeyWABAZBRALPDCLP-UHFFFAOYSA-N
MW456.63 g/mol
LogP2.79
Rot. Bonds9

About 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide

2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 130200460) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID130200460
Molecular FormulaC26H40N4O3
Molecular Weight456.63 g/mol
Exact Mass456.31
IUPAC Name2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1
InChIInChI=1S/C26H40N4O3/c1-3-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(32)27-16-17-31)24(33)30(25)18-21-8-7-9-21/h4-6,10-11,21,31H,3,7-9,12-20H2,1-2H3,(H,27,32)
InChIKeyWABAZBRALPDCLP-UHFFFAOYSA-N
XLogP2.79
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
3-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 145986720
2-(2,5-dioxo-4,4-diphenyl-1-imidazolidinyl)-N-{2-[(2-hydroxyethyl)amino]ethyl}acetamide
CID 3088576
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonyl-ethyl)-acetamide
CID 130200468
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911
US10793528, Example SC_5046
CID 130201069

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide (CID 130200460) is 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is CCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCO)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is WABAZBRALPDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-3-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(32)27-16-17-31)24(33)30(25)18-21-8-7-9-21/h4-6,10-11,21,31H,3,7-9,12-20H2,1-2H3,(H,27,32).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide?
2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 456.63 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 130200460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).