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

C28H42N4O3 — CID 130200628

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O3/c1-30(2)28(23-10-4-3-5-11-23)16-14-26(15-17-28)21-31(25(34)32(26)18-22-8-6-9-22)19-24(33)29-20-27(35)12-7-13-27/h3-5,10-11,22,35H,6-9,12-21H2,1-2H3,(H,29,33)
InChIKeyDIFBACDHCMEIGA-UHFFFAOYSA-N
MW482.67 g/mol
LogP3.33
Rot. Bonds8

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 130200628) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID130200628
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H42N4O3/c1-30(2)28(23-10-4-3-5-11-23)16-14-26(15-17-28)21-31(25(34)32(26)18-22-8-6-9-22)19-24(33)29-20-27(35)12-7-13-27/h3-5,10-11,22,35H,6-9,12-21H2,1-2H3,(H,29,33)
InChIKeyDIFBACDHCMEIGA-UHFFFAOYSA-N
XLogP3.33
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide with MolForge

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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
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1223
CID 130200458
US10807989, Example SC_1177
CID 130200460

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 130200628) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCC1(O)CCC1)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is DIFBACDHCMEIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-30(2)28(23-10-4-3-5-11-23)16-14-26(15-17-28)21-31(25(34)32(26)18-22-8-6-9-22)19-24(33)29-20-27(35)12-7-13-27/h3-5,10-11,22,35H,6-9,12-21H2,1-2H3,(H,29,33).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 482.67 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 130200628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).