8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C26H35N3O3 — CID 130202362

IUPAC8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CCO)C2=O)cc1
InChIInChI=1S/C26H35N3O3/c1-27(2)26(22-7-5-4-6-8-22)15-13-25(14-16-26)20-28(24(31)29(25)17-18-30)19-21-9-11-23(32-3)12-10-21/h4-12,30H,13-20H2,1-3H3
InChIKeyJPPRWNMMGJNQBN-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.69
Rot. Bonds7

About 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202362) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202362
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CCO)C2=O)cc1
InChIInChI=1S/C26H35N3O3/c1-27(2)26(22-7-5-4-6-8-22)15-13-25(14-16-26)20-28(24(31)29(25)17-18-30)19-21-9-11-23(32-3)12-10-21/h4-12,30H,13-20H2,1-3H3
InChIKeyJPPRWNMMGJNQBN-UHFFFAOYSA-N
XLogP3.69
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Benzyl-piperidin-4-yl)-5,5-di-(4-methoxyphenyl)-imidazolidin-2-one
CID 16125224
3-(1-(4-Methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125618
3-(1-Hydroxy-2-methylpropan-2-yl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]urea
CID 44437555
US10829480, Example SC_2010
CID 130200809
US10829480, Example SC_2017
CID 130200930
US10829480, Example SC_2011
CID 130202413
US10829480, Example SC_2039
CID 130202414
US10829480, Example SC_2037
CID 130202462
US10829480, Example SC_2079
CID 130202593
1,3-Bis[(4-methoxyphenyl)methyl]-2-phenylimidazolidine
CID 986237
1,3-bis[(4-methoxyphenyl)methyl]-2-[(E)-2-phenylethenyl]imidazolidine
CID 12062833
US10829480, Example SC_2069
CID 130200552

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202362) is 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CCO)C2=O)cc1.
What is the InChIKey of 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JPPRWNMMGJNQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-27(2)26(22-7-5-4-6-8-22)15-13-25(14-16-26)20-28(24(31)29(25)17-18-30)19-21-9-11-23(32-3)12-10-21/h4-12,30H,13-20H2,1-3H3.
What are the key properties of 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 437.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-(2-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).