(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione

C25H28N2O3 — CID 175653518

IUPAC(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
SMILESCOc1ccc(N2C(=O)[C@]3(C(=O)N(C)C34CCCCC4)[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-17-7-9-18(10-8-17)21-25(22(28)26(2)24(25)15-5-4-6-16-24)23(29)27(21)19-11-13-20(30-3)14-12-19/h7-14,21H,4-6,15-16H2,1-3H3/t21-,25+/m0/s1
InChIKeyFZXKUICZENHFDU-SQJMNOBHSA-N
MW404.51 g/mol
LogP4.25
Rot. Bonds3

About (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione

(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione (PubChem CID 175653518) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione.

Molecular Properties

Compound Name(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
PubChem CID175653518
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
SMILESCOc1ccc(N2C(=O)[C@]3(C(=O)N(C)C34CCCCC4)[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-17-7-9-18(10-8-17)21-25(22(28)26(2)24(25)15-5-4-6-16-24)23(29)27(21)19-11-13-20(30-3)14-12-19/h7-14,21H,4-6,15-16H2,1-3H3/t21-,25+/m0/s1
InChIKeyFZXKUICZENHFDU-SQJMNOBHSA-N
XLogP4.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one
CID 101180547
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
ethyl (2R)-2-hydroxy-2-[(2S,3S)-3-hydroxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidin-3-yl]acetate
CID 44519591
(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-3-thiophen-2-ylsulfonylazetidin-2-one
CID 155937048
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
CID 828811
3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one
CID 46289311
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(1R)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 707423

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione?
The IUPAC name of (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione (CID 175653518) is (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione.
What is the SMILES notation for (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione?
The canonical SMILES for (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione is COc1ccc(N2C(=O)[C@]3(C(=O)N(C)C34CCCCC4)[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione?
The InChIKey is FZXKUICZENHFDU-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-7-9-18(10-8-17)21-25(22(28)26(2)24(25)15-5-4-6-16-24)23(29)27(21)19-11-13-20(30-3)14-12-19/h7-14,21H,4-6,15-16H2,1-3H3/t21-,25+/m0/s1.
What are the key properties of (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione?
(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione has a molecular weight of 404.51 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione is sourced from PubChem (CID 175653518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).