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

C29H39N3O3 — CID 130202575

IUPAC8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCOC3)C2=O)cc1
InChIInChI=1S/C29H39N3O3/c1-30(2)29(25-7-5-4-6-8-25)16-14-28(15-17-29)22-31(19-23-9-11-26(34-3)12-10-23)27(33)32(28)20-24-13-18-35-21-24/h4-12,24H,13-22H2,1-3H3
InChIKeyACPQZFFQLKGWON-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.74
Rot. Bonds7

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

8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202575) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202575
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCOC3)C2=O)cc1
InChIInChI=1S/C29H39N3O3/c1-30(2)29(25-7-5-4-6-8-25)16-14-28(15-17-29)22-31(19-23-9-11-26(34-3)12-10-23)27(33)32(28)20-24-13-18-35-21-24/h4-12,24H,13-22H2,1-3H3
InChIKeyACPQZFFQLKGWON-UHFFFAOYSA-N
XLogP4.74
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202575) is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCOC3)C2=O)cc1.
What is the InChIKey of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ACPQZFFQLKGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-30(2)29(25-7-5-4-6-8-25)16-14-28(15-17-29)22-31(19-23-9-11-26(34-3)12-10-23)27(33)32(28)20-24-13-18-35-21-24/h4-12,24H,13-22H2,1-3H3.
What are the key properties of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 477.65 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).