N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide

C22H34FNOSi — CID 154717547

IUPACN-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide
SMILESCC(=O)N[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C22H34FNOSi/c1-15(2)26(16(3)4,17(5)6)14-13-22(24-19(8)25)18(7)20-9-11-21(23)12-10-20/h9-12,15-18,22H,1-8H3,(H,24,25)/t18-,22-/m0/s1
InChIKeyHWPXHNPMIKJDCI-AVRDEDQJSA-N
MW375.60 g/mol
LogP5.66
Rot. Bonds6

About N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide

N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide (PubChem CID 154717547) has the molecular formula C22H34FNOSi and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide
PubChem CID154717547
Molecular FormulaC22H34FNOSi
Molecular Weight375.60 g/mol
Exact Mass375.24
IUPAC NameN-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide
SMILESCC(=O)N[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C22H34FNOSi/c1-15(2)26(16(3)4,17(5)6)14-13-22(24-19(8)25)18(7)20-9-11-21(23)12-10-20/h9-12,15-18,22H,1-8H3,(H,24,25)/t18-,22-/m0/s1
InChIKeyHWPXHNPMIKJDCI-AVRDEDQJSA-N
XLogP5.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide (CID 154717547) is N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide is CC(=O)N[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide?
The InChIKey is HWPXHNPMIKJDCI-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H34FNOSi/c1-15(2)26(16(3)4,17(5)6)14-13-22(24-19(8)25)18(7)20-9-11-21(23)12-10-20/h9-12,15-18,22H,1-8H3,(H,24,25)/t18-,22-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide?
N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide has a molecular weight of 375.60 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylpent-1-yn-3-yl]acetamide is sourced from PubChem (CID 154717547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).