8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C30H46N4O4 — CID 130201207

IUPAC8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C30H46N4O4/c1-27(2,25(35)32-17-19-38-20-18-32)21-33-22-28(34(26(33)36)23-29(37)11-8-12-29)13-15-30(16-14-28,31(3)4)24-9-6-5-7-10-24/h5-7,9-10,37H,8,11-23H2,1-4H3
InChIKeyXAXFGHSYJWAJOA-UHFFFAOYSA-N
MW526.72 g/mol
LogP3.29
Rot. Bonds7

About 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201207) has the molecular formula C30H46N4O4 and a molecular weight of 526.72 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201207
Molecular FormulaC30H46N4O4
Molecular Weight526.72 g/mol
Exact Mass526.35
IUPAC Name8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C30H46N4O4/c1-27(2,25(35)32-17-19-38-20-18-32)21-33-22-28(34(26(33)36)23-29(37)11-8-12-29)13-15-30(16-14-28,31(3)4)24-9-6-5-7-10-24/h5-7,9-10,37H,8,11-23H2,1-4H3
InChIKeyXAXFGHSYJWAJOA-UHFFFAOYSA-N
XLogP3.29
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1172
CID 130200494
US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1302
CID 130200509
US10807989, Example SC_1159
CID 130200530
US10807989, Example SC_1358
CID 130200540
US10807989, Example SC_1219
CID 130200554
US10807989, Example SC_1019
CID 130200564
US10807989, Example SC_1062
CID 130200577
US10807989, Example SC_1357
CID 130200582
US10807989, Example SC_1301
CID 130200602
US10807989, Example SC_1303
CID 130200610

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201207) is 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(=O)N1CCOCC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is XAXFGHSYJWAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O4/c1-27(2,25(35)32-17-19-38-20-18-32)21-33-22-28(34(26(33)36)23-29(37)11-8-12-29)13-15-30(16-14-28,31(3)4)24-9-6-5-7-10-24/h5-7,9-10,37H,8,11-23H2,1-4H3.
What are the key properties of 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 526.72 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropyl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).