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

C29H44N4O3 — CID 130200886

IUPAC3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCC1(O)CCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C29H44N4O3/c1-31(2)29(24-10-4-3-5-11-24)17-15-27(16-18-29)22-32(26(35)33(27)20-23-8-6-9-23)19-12-25(34)30-21-28(36)13-7-14-28/h3-5,10-11,23,36H,6-9,12-22H2,1-2H3,(H,30,34)
InChIKeyONBDWRNVEZUWIA-UHFFFAOYSA-N
MW496.70 g/mol
LogP3.72
Rot. Bonds9

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

3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide (PubChem CID 130200886) has the molecular formula C29H44N4O3 and a molecular weight of 496.70 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide
PubChem CID130200886
Molecular FormulaC29H44N4O3
Molecular Weight496.70 g/mol
Exact Mass496.34
IUPAC Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCC1(O)CCC1)C(=O)N2CC1CCC1
InChIInChI=1S/C29H44N4O3/c1-31(2)29(24-10-4-3-5-11-24)17-15-27(16-18-29)22-32(26(35)33(27)20-23-8-6-9-23)19-12-25(34)30-21-28(36)13-7-14-28/h3-5,10-11,23,36H,6-9,12-22H2,1-2H3,(H,30,34)
InChIKeyONBDWRNVEZUWIA-UHFFFAOYSA-N
XLogP3.72
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.70
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1356
CID 130200704
US10793528, Example SC_5069
CID 130200865
US10793528, Example SC_5046
CID 130201069
US10807989, Example SC_1177
CID 130200460
CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetyl]amino]-N,N-dimethyl-acetamide
CID 130200462
US10807989, Example SC_1005
CID 130200463
CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetyl]amino]-N-methyl-acetamide
CID 130200473
CIS-N-(Carbamoyl-methyl)-2-[1-(cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-acetamide
CID 130200475
US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1143
CID 130200478
US10807989, Example SC_1158
CID 130200486

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide (CID 130200886) is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCC1(O)CCC1)C(=O)N2CC1CCC1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is ONBDWRNVEZUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O3/c1-31(2)29(24-10-4-3-5-11-24)17-15-27(16-18-29)22-32(26(35)33(27)20-23-8-6-9-23)19-12-25(34)30-21-28(36)13-7-14-28/h3-5,10-11,23,36H,6-9,12-22H2,1-2H3,(H,30,34).
What are the key properties of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide?
3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 496.70 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 130200886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).