3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium

C23H30NO3SiY- — CID 58176191

IUPAC3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium
SMILESC[CH-]CC(=O)[C@H](C[Si](C)(C)C)NC(=O)c1cccc(-c2cccc(OC)c2)c1.[Y]
InChIInChI=1S/C23H30NO3Si.Y/c1-6-9-22(25)21(16-28(3,4)5)24-23(26)19-12-7-10-17(14-19)18-11-8-13-20(15-18)27-2;/h6-8,10-15,21H,9,16H2,1-5H3,(H,24,26);/q-1;/t21-;/m0./s1
InChIKeyUWVMJXGPBJPPGV-BOXHHOBZSA-N
MW485.49 g/mol
LogP4.98
Rot. Bonds9

About 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium

3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium (PubChem CID 58176191) has the molecular formula C23H30NO3SiY- and a molecular weight of 485.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium
PubChem CID58176191
Molecular FormulaC23H30NO3SiY-
Molecular Weight485.49 g/mol
Exact Mass485.11
IUPAC Name3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium
SMILESC[CH-]CC(=O)[C@H](C[Si](C)(C)C)NC(=O)c1cccc(-c2cccc(OC)c2)c1.[Y]
InChIInChI=1S/C23H30NO3Si.Y/c1-6-9-22(25)21(16-28(3,4)5)24-23(26)19-12-7-10-17(14-19)18-11-8-13-20(15-18)27-2;/h6-8,10-15,21H,9,16H2,1-5H3,(H,24,26);/q-1;/t21-;/m0./s1
InChIKeyUWVMJXGPBJPPGV-BOXHHOBZSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[[(2R)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-trimethylsilylpropan-2-yl]carbamoyl]phenyl]benzoate
CID 90765019
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
(2S)-2-[(3-iodobenzoyl)amino]-3-trimethylsilylpropanoic acid
CID 69472359
2-[(3-methoxybenzoyl)amino]-3-sulfopropanoic acid
CID 89123775
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-3-(furan-3-yl)benzamide
CID 97082127
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium (CID 58176191) is 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium is C[CH-]CC(=O)[C@H](C[Si](C)(C)C)NC(=O)c1cccc(-c2cccc(OC)c2)c1.[Y].
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium?
The InChIKey is UWVMJXGPBJPPGV-BOXHHOBZSA-N. The full InChI is InChI=1S/C23H30NO3Si.Y/c1-6-9-22(25)21(16-28(3,4)5)24-23(26)19-12-7-10-17(14-19)18-11-8-13-20(15-18)27-2;/h6-8,10-15,21H,9,16H2,1-5H3,(H,24,26);/q-1;/t21-;/m0./s1.
What are the key properties of 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium?
3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium has a molecular weight of 485.49 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(2R)-3-oxo-1-trimethylsilylhexan-2-yl]benzamide;yttrium is sourced from PubChem (CID 58176191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).