2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C22H32N4O3 — CID 130200476

IUPAC2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C22H32N4O3/c1-24-22(17-6-3-2-4-7-17)12-10-20(11-13-22)15-25(14-18(23)27)19(28)26(20)16-21(29)8-5-9-21/h2-4,6-7,24,29H,5,8-16H2,1H3,(H2,23,27)
InChIKeyIGRPMZJMGIGBMK-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.55
Rot. Bonds6

About 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 130200476) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID130200476
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C22H32N4O3/c1-24-22(17-6-3-2-4-7-17)12-10-20(11-13-22)15-25(14-18(23)27)19(28)26(20)16-21(29)8-5-9-21/h2-4,6-7,24,29H,5,8-16H2,1H3,(H2,23,27)
InChIKeyIGRPMZJMGIGBMK-UHFFFAOYSA-N
XLogP1.55
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.55
H-Bond Donors ≤ 53
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
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1103
CID 130200911
US10793528, Example SC_5046
CID 130201069
Step A: 5-((dibenzylamino)methyl)-3-(2-hydroxy-2-methylpropyl)-5-methylimidazolidine-2,4-dione
CID 117940868
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1223
CID 130200458

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 130200476) is 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CNC1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is IGRPMZJMGIGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-24-22(17-6-3-2-4-7-17)12-10-20(11-13-22)15-25(14-18(23)27)19(28)26(20)16-21(29)8-5-9-21/h2-4,6-7,24,29H,5,8-16H2,1H3,(H2,23,27).
What are the key properties of 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 130200476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).