8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C27H41N3O3 — CID 155409791

IUPAC8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC1(C)N(CC2(O)CCOCC2)C(=O)N(CC2CCC2)C12CCC(N)(c1ccccc1)CC2
InChIInChI=1S/C27H41N3O3/c1-24(2)27(13-11-26(28,12-14-27)22-9-4-3-5-10-22)29(19-21-7-6-8-21)23(31)30(24)20-25(32)15-17-33-18-16-25/h3-5,9-10,21,32H,6-8,11-20,28H2,1-2H3
InChIKeyBKJQNSWPYBCNQE-UHFFFAOYSA-N
MW455.64 g/mol
LogP4.01
Rot. Bonds5

About 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155409791) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID155409791
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC1(C)N(CC2(O)CCOCC2)C(=O)N(CC2CCC2)C12CCC(N)(c1ccccc1)CC2
InChIInChI=1S/C27H41N3O3/c1-24(2)27(13-11-26(28,12-14-27)22-9-4-3-5-10-22)29(19-21-7-6-8-21)23(31)30(24)20-25(32)15-17-33-18-16-25/h3-5,9-10,21,32H,6-8,11-20,28H2,1-2H3
InChIKeyBKJQNSWPYBCNQE-UHFFFAOYSA-N
XLogP4.01
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-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_1219
CID 130200554
CIS-2-[8-Dimethylamino-1-(3-methoxy-propyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxy-cyclobutyl)-methyl]-acetamide
CID 130200565
US10807989, Example SC_1301
CID 130200602
US10807989, Example SC_1303
CID 130200610
US10807989, Example SC_1064
CID 130200628
US10807989, Example SC_1350
CID 130200638
US10807989, Example SC_1063
CID 130200643

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 155409791) is 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CC1(C)N(CC2(O)CCOCC2)C(=O)N(CC2CCC2)C12CCC(N)(c1ccccc1)CC2.
What is the InChIKey of 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BKJQNSWPYBCNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-24(2)27(13-11-26(28,12-14-27)22-9-4-3-5-10-22)29(19-21-7-6-8-21)23(31)30(24)20-25(32)15-17-33-18-16-25/h3-5,9-10,21,32H,6-8,11-20,28H2,1-2H3.
What are the key properties of 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 455.64 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155409791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).