tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate

C28H41N3O4Si — CID 138980071

IUPACtert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate
SMILESCNC(=O)[C@H](C)C[Si](c1ccccc1)(c1ccccc1)[C@H](CCCNC(=O)OC(C)(C)C)NC(C)=O
InChIInChI=1S/C28H41N3O4Si/c1-21(26(33)29-6)20-36(23-14-9-7-10-15-23,24-16-11-8-12-17-24)25(31-22(2)32)18-13-19-30-27(34)35-28(3,4)5/h7-12,14-17,21,25H,13,18-20H2,1-6H3,(H,29,33)(H,30,34)(H,31,32)/t21-,25-/m1/s1
InChIKeyTXJAAYNWDLFIDL-PXDATVDWSA-N
MW511.74 g/mol
LogP2.98
Rot. Bonds11

About tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate

tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate (PubChem CID 138980071) has the molecular formula C28H41N3O4Si and a molecular weight of 511.74 g/mol. Its IUPAC name is tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate
PubChem CID138980071
Molecular FormulaC28H41N3O4Si
Molecular Weight511.74 g/mol
Exact Mass511.29
IUPAC Nametert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate
SMILESCNC(=O)[C@H](C)C[Si](c1ccccc1)(c1ccccc1)[C@H](CCCNC(=O)OC(C)(C)C)NC(C)=O
InChIInChI=1S/C28H41N3O4Si/c1-21(26(33)29-6)20-36(23-14-9-7-10-15-23,24-16-11-8-12-17-24)25(31-22(2)32)18-13-19-30-27(34)35-28(3,4)5/h7-12,14-17,21,25H,13,18-20H2,1-6H3,(H,29,33)(H,30,34)(H,31,32)/t21-,25-/m1/s1
InChIKeyTXJAAYNWDLFIDL-PXDATVDWSA-N
XLogP2.98
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.74
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate 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

tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
CID 10862968
tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
CID 11373383
tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
CID 11381145
tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
CID 101251333
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989
tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate
CID 134905367
tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate
CID 134905481
tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate
CID 134960634
tert-butyl N-[(1R)-4-(methoxymethoxy)-1-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate
CID 138980069
tert-butyl N-[(1R)-4-azido-1-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate
CID 138980070
tert-butyl N-[N'-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 138980072
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate
CID 138983254

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate (CID 138980071) is tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate is CNC(=O)[C@H](C)C[Si](c1ccccc1)(c1ccccc1)[C@H](CCCNC(=O)OC(C)(C)C)NC(C)=O.
What is the InChIKey of tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate?
The InChIKey is TXJAAYNWDLFIDL-PXDATVDWSA-N. The full InChI is InChI=1S/C28H41N3O4Si/c1-21(26(33)29-6)20-36(23-14-9-7-10-15-23,24-16-11-8-12-17-24)25(31-22(2)32)18-13-19-30-27(34)35-28(3,4)5/h7-12,14-17,21,25H,13,18-20H2,1-6H3,(H,29,33)(H,30,34)(H,31,32)/t21-,25-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate?
tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate has a molecular weight of 511.74 g/mol, XLogP of 2.98, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate is sourced from PubChem (CID 138980071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).