N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide

C27H37NO2Si — CID 134938687

IUPACN-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](C#C[Si](C)(C)c1ccccc1)CCCCOCc1ccccc1
InChIInChI=1S/C27H37NO2Si/c1-27(2,3)26(29)28-24(19-21-31(4,5)25-17-10-7-11-18-25)16-12-13-20-30-22-23-14-8-6-9-15-23/h6-11,14-15,17-18,24H,12-13,16,20,22H2,1-5H3,(H,28,29)/t24-/m1/s1
InChIKeyXTPKXHWATWPEIR-XMMPIXPASA-N
MW435.68 g/mol
LogP5.06
Rot. Bonds9

About N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide

N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide (PubChem CID 134938687) has the molecular formula C27H37NO2Si and a molecular weight of 435.68 g/mol. Its IUPAC name is N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide
PubChem CID134938687
Molecular FormulaC27H37NO2Si
Molecular Weight435.68 g/mol
Exact Mass435.26
IUPAC NameN-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](C#C[Si](C)(C)c1ccccc1)CCCCOCc1ccccc1
InChIInChI=1S/C27H37NO2Si/c1-27(2,3)26(29)28-24(19-21-31(4,5)25-17-10-7-11-18-25)16-12-13-20-30-22-23-14-8-6-9-15-23/h6-11,14-15,17-18,24H,12-13,16,20,22H2,1-5H3,(H,28,29)/t24-/m1/s1
InChIKeyXTPKXHWATWPEIR-XMMPIXPASA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.68
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[2-[4-(methoxymethyl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 68191415
N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide
CID 15447302
benzyl N-[(1R,2R)-2-(2-triethylsilylethynyl)cyclohexyl]carbamate
CID 138974854
N-[(3S,4R)-4-methyl-7-phenylmethoxy-1-tri(propan-2-yl)silylhept-1-yn-3-yl]acetamide
CID 154717545
benzyl N-[(2S)-5-[3-methyl-5-(2-trimethylsilylethynyl)phenyl]pentan-2-yl]carbamate
CID 90210580
benzyl N-(4-trimethylsilylcyclohexyl)carbamate
CID 153445221
N-[(2R,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(2-trimethylsilylethynyl)oxan-3-yl]acetamide
CID 172240057
tert-butyl N-(1-phenyl-7-phenylmethoxyhept-1-yn-3-yl)carbamate
CID 10691977
N-[1-[diphenyl(3-phenylmethoxypropyl)silyl]ethyl]acetamide
CID 60201141
N-[1-[diphenyl(3-phenylmethoxypropyl)silyl]propyl]acetamide
CID 60201282
benzyl N-[(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexyl]carbamate
CID 101036255
(3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide
CID 101126324

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide (CID 134938687) is N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H](C#C[Si](C)(C)c1ccccc1)CCCCOCc1ccccc1.
What is the InChIKey of N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide?
The InChIKey is XTPKXHWATWPEIR-XMMPIXPASA-N. The full InChI is InChI=1S/C27H37NO2Si/c1-27(2,3)26(29)28-24(19-21-31(4,5)25-17-10-7-11-18-25)16-12-13-20-30-22-23-14-8-6-9-15-23/h6-11,14-15,17-18,24H,12-13,16,20,22H2,1-5H3,(H,28,29)/t24-/m1/s1.
What are the key properties of N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide?
N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide has a molecular weight of 435.68 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134938687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).