(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide

C18H26N2O3Si — CID 45486472

IUPAC(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
SMILESCOC[C@H](NC(C)=O)C(=O)NCc1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C18H26N2O3Si/c1-14(21)20-17(13-23-2)18(22)19-12-16-8-6-15(7-9-16)10-11-24(3,4)5/h6-9,17H,12-13H2,1-5H3,(H,19,22)(H,20,21)/t17-/m0/s1
InChIKeyGNKVIXYFUVFNLO-KRWDZBQOSA-N
MW346.50 g/mol
LogP1.68
Rot. Bonds6

About (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide

(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide (PubChem CID 45486472) has the molecular formula C18H26N2O3Si and a molecular weight of 346.50 g/mol. Its IUPAC name is (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
PubChem CID45486472
Molecular FormulaC18H26N2O3Si
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
SMILESCOC[C@H](NC(C)=O)C(=O)NCc1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C18H26N2O3Si/c1-14(21)20-17(13-23-2)18(22)19-12-16-8-6-15(7-9-16)10-11-24(3,4)5/h6-9,17H,12-13H2,1-5H3,(H,19,22)(H,20,21)/t17-/m0/s1
InChIKeyGNKVIXYFUVFNLO-KRWDZBQOSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
CID 46179903
(2S)-2-acetamido-3-(2-aminoethoxy)-N-[(4-ethynylphenyl)methyl]propanamide
CID 44542968
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid
CID 59451860
2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
CID 75044819
(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
CID 44543282

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide (CID 45486472) is (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide is COC[C@H](NC(C)=O)C(=O)NCc1ccc(C#C[Si](C)(C)C)cc1.
What is the InChIKey of (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide?
The InChIKey is GNKVIXYFUVFNLO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O3Si/c1-14(21)20-17(13-23-2)18(22)19-12-16-8-6-15(7-9-16)10-11-24(3,4)5/h6-9,17H,12-13H2,1-5H3,(H,19,22)(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide?
(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide has a molecular weight of 346.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide is sourced from PubChem (CID 45486472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).