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

C24H31N3O2 — CID 130200757

IUPAC8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C24H31N3O2/c1-26(2)24(20-7-5-4-6-8-20)15-13-23(14-16-24)18-27(22(28)25-23)17-19-9-11-21(29-3)12-10-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyBHNBGYKHHFLUSJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.99
Rot. Bonds5

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

8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200757) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200757
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C24H31N3O2/c1-26(2)24(20-7-5-4-6-8-20)15-13-23(14-16-24)18-27(22(28)25-23)17-19-9-11-21(29-3)12-10-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyBHNBGYKHHFLUSJ-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[5-[(4-Ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 11951384
1-Benzyl-3-[(4-methoxyphenyl)methyl]urea
CID 15323520
6-[(2-Aminoethyl)amino]-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione
CID 25138121
1-[(4-Methoxyphenyl)methyl]-3-(2-{3-[2-({[(4-methoxyphenyl)methyl]carbamoyl}amino)propan-2-YL]phenyl}propan-2-YL)urea
CID 3488474
Idanpramine
CID 58521
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3984307
N-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 9508752
1-[1-(3-Isopropenyl-phenyl)-1-methyl-ethyl]-3-(4-methoxy-benzyl)-urea
CID 753408
1-methyl-3-(S)-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxy-ethyl)-pyrrolidinium
CID 16125398
1-Methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxy-ethyl)-pyrrolidinium
CID 16125541
1-Methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(3-phenoxy-propyl)-pyrrolidinium
CID 16125587
1-methyl-3-(R)-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxy-ethyl)-pyrrolidinium
CID 16125642

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200757) is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.
What is the InChIKey of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BHNBGYKHHFLUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-26(2)24(20-7-5-4-6-8-20)15-13-23(14-16-24)18-27(22(28)25-23)17-19-9-11-21(29-3)12-10-19/h4-12H,13-18H2,1-3H3,(H,25,28).
What are the key properties of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).