(2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide

C19H23N3O2Si — CID 125465636

IUPAC(2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@H](N)C(=O)Nc2ccc([Si](C)(C)C)c(C#N)c2)cc1
InChIInChI=1S/C19H23N3O2Si/c1-24-16-8-5-13(6-9-16)18(21)19(23)22-15-7-10-17(25(2,3)4)14(11-15)12-20/h5-11,18H,21H2,1-4H3,(H,22,23)/t18-/m0/s1
InChIKeyCMUPNMCTQPUMKF-SFHVURJKSA-N
MW353.50 g/mol
LogP2.75
Rot. Bonds5

About (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide

(2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 125465636) has the molecular formula C19H23N3O2Si and a molecular weight of 353.50 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
PubChem CID125465636
Molecular FormulaC19H23N3O2Si
Molecular Weight353.50 g/mol
Exact Mass353.16
IUPAC Name(2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@H](N)C(=O)Nc2ccc([Si](C)(C)C)c(C#N)c2)cc1
InChIInChI=1S/C19H23N3O2Si/c1-24-16-8-5-13(6-9-16)18(21)19(23)22-15-7-10-17(25(2,3)4)14(11-15)12-20/h5-11,18H,21H2,1-4H3,(H,22,23)/t18-/m0/s1
InChIKeyCMUPNMCTQPUMKF-SFHVURJKSA-N
XLogP2.75
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 52.75
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

(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125465615
(2R)-2-amino-N-(4-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125499160
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 82202011
N-[3-cyano-4-(trimethyl-λ4-sulfanyl)phenyl]-2-(4-methoxyphenyl)-2-[[2-(4-oxo-1-pyridinyl)acetyl]amino]acetamide
CID 129055227
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide (CID 125465636) is (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide is COc1ccc([C@H](N)C(=O)Nc2ccc([Si](C)(C)C)c(C#N)c2)cc1.
What is the InChIKey of (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is CMUPNMCTQPUMKF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O2Si/c1-24-16-8-5-13(6-9-16)18(21)19(23)22-15-7-10-17(25(2,3)4)14(11-15)12-20/h5-11,18H,21H2,1-4H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide?
(2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 353.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-cyano-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 125465636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).