N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C26H35N3O4Si — CID 140781135

IUPACN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCCC3(COC3)C2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C26H35N3O4Si/c1-32-21-10-6-19(7-11-21)23(24(30)27-20-8-12-22(13-9-20)34(2,3)4)28-25(31)29-15-5-14-26(16-29)17-33-18-26/h6-13,23H,5,14-18H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyMMRNGGYINRSBFF-UHFFFAOYSA-N
MW481.67 g/mol
LogP3.74
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 140781135) has the molecular formula C26H35N3O4Si and a molecular weight of 481.67 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID140781135
Molecular FormulaC26H35N3O4Si
Molecular Weight481.67 g/mol
Exact Mass481.24
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCOc1ccc(C(NC(=O)N2CCCC3(COC3)C2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C26H35N3O4Si/c1-32-21-10-6-19(7-11-21)23(24(30)27-20-8-12-22(13-9-20)34(2,3)4)28-25(31)29-15-5-14-26(16-29)17-33-18-26/h6-13,23H,5,14-18H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyMMRNGGYINRSBFF-UHFFFAOYSA-N
XLogP3.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 140781395
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 140781371
N-[2-(3-fluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 140781112
(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002
1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 140781398
N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235204
(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 40542048
2-(4-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781276

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 140781135) is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide is COc1ccc(C(NC(=O)N2CCCC3(COC3)C2)C(=O)Nc2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is MMRNGGYINRSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4Si/c1-32-21-10-6-19(7-11-21)23(24(30)27-20-8-12-22(13-9-20)34(2,3)4)28-25(31)29-15-5-14-26(16-29)17-33-18-26/h6-13,23H,5,14-18H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 481.67 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 140781135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).