3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

C27H42N4O3 — CID 130200950

IUPAC3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H42N4O3/c1-5-29(4)27(21-10-7-6-8-11-21)16-14-25(15-17-27)19-30(18-24(2,3)22(28)32)23(33)31(25)20-26(34)12-9-13-26/h6-8,10-11,34H,5,9,12-20H2,1-4H3,(H2,28,32)
InChIKeyXEMGIQPBMSNWHD-UHFFFAOYSA-N
MW470.66 g/mol
LogP3.31
Rot. Bonds8

About 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 130200950) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130200950
Molecular FormulaC27H42N4O3
Molecular Weight470.66 g/mol
Exact Mass470.33
IUPAC Name3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H42N4O3/c1-5-29(4)27(21-10-7-6-8-11-21)16-14-25(15-17-27)19-30(18-24(2,3)22(28)32)23(33)31(25)20-26(34)12-9-13-26/h6-8,10-11,34H,5,9,12-20H2,1-4H3,(H2,28,32)
InChIKeyXEMGIQPBMSNWHD-UHFFFAOYSA-N
XLogP3.31
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10793528, Example SC_5084
CID 130201060
US10793528, Example SC_5078
CID 130200844
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

Frequently Asked Questions

What is the IUPAC name of 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 130200950) is 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is CCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is XEMGIQPBMSNWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-5-29(4)27(21-10-7-6-8-11-21)16-14-25(15-17-27)19-30(18-24(2,3)22(28)32)23(33)31(25)20-26(34)12-9-13-26/h6-8,10-11,34H,5,9,12-20H2,1-4H3,(H2,28,32).
What are the key properties of 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 470.66 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[ethyl(methyl)amino]-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130200950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).