(2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide

C24H39FN2O3Si — CID 54551491

IUPAC(2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide
SMILESCCCC(C)(C)[Si](C)(C)OCCC=C(F)CNC(=O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C24H39FN2O3Si/c1-7-15-24(3,4)31(5,6)30-16-11-14-21(25)18-26-23(29)22(27-19(2)28)17-20-12-9-8-10-13-20/h8-10,12-14,22H,7,11,15-18H2,1-6H3,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKeyZKFBEDVMTMDOBU-QFIPXVFZSA-N
MW450.67 g/mol
LogP4.90
Rot. Bonds13

About (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide

(2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide (PubChem CID 54551491) has the molecular formula C24H39FN2O3Si and a molecular weight of 450.67 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide
PubChem CID54551491
Molecular FormulaC24H39FN2O3Si
Molecular Weight450.67 g/mol
Exact Mass450.27
IUPAC Name(2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide
SMILESCCCC(C)(C)[Si](C)(C)OCCC=C(F)CNC(=O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C24H39FN2O3Si/c1-7-15-24(3,4)31(5,6)30-16-11-14-21(25)18-26-23(29)22(27-19(2)28)17-20-12-9-8-10-13-20/h8-10,12-14,22H,7,11,15-18H2,1-6H3,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKeyZKFBEDVMTMDOBU-QFIPXVFZSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.67
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 3082491
Ac-Phe-Phe-NH2
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CID 44572036
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxo-3-phenylpropan-2-yl]butanamide
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CID 11276051
(2S)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-3-phenylpropanamide
CID 15487997
(2S)-2-amino-N-[(2S)-1-amino-3-(3-fluorophenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 44611294
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 54397413
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-N-[(S)-2-phenyl-1-(3,3,3-trifluoro-1-methyl-2-oxo-propylcarbamoyl)-ethyl]-butyramide
CID 10530197

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide (CID 54551491) is (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide is CCCC(C)(C)[Si](C)(C)OCCC=C(F)CNC(=O)[C@H](Cc1ccccc1)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
The InChIKey is ZKFBEDVMTMDOBU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H39FN2O3Si/c1-7-15-24(3,4)31(5,6)30-16-11-14-21(25)18-26-23(29)22(27-19(2)28)17-20-12-9-8-10-13-20/h8-10,12-14,22H,7,11,15-18H2,1-6H3,(H,26,29)(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide?
(2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide has a molecular weight of 450.67 g/mol, XLogP of 4.90, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enyl]-3-phenylpropanamide is sourced from PubChem (CID 54551491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).