N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide

C36H59NO4Si2 — CID 15516680

IUPACN-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(CCc1ccc(C(=O)CCCCc2ccccc2)cc1)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H59NO4Si2/c1-29(38)37-36(27-40-42(8,9)34(2,3)4,28-41-43(10,11)35(5,6)7)26-25-31-21-23-32(24-22-31)33(39)20-16-15-19-30-17-13-12-14-18-30/h12-14,17-18,21-24H,15-16,19-20,25-28H2,1-11H3,(H,37,38)
InChIKeyIDHMNXJURHZPSA-UHFFFAOYSA-N
MW626.04 g/mol
LogP9.13
Rot. Bonds16

About N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide

N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide (PubChem CID 15516680) has the molecular formula C36H59NO4Si2 and a molecular weight of 626.04 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide
PubChem CID15516680
Molecular FormulaC36H59NO4Si2
Molecular Weight626.04 g/mol
Exact Mass625.40
IUPAC NameN-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(CCc1ccc(C(=O)CCCCc2ccccc2)cc1)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H59NO4Si2/c1-29(38)37-36(27-40-42(8,9)34(2,3)4,28-41-43(10,11)35(5,6)7)26-25-31-21-23-32(24-22-31)33(39)20-16-15-19-30-17-13-12-14-18-30/h12-14,17-18,21-24H,15-16,19-20,25-28H2,1-11H3,(H,37,38)
InChIKeyIDHMNXJURHZPSA-UHFFFAOYSA-N
XLogP9.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.04
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[2-acetamido-2-(acetyloxymethyl)-4-[4-(5-phenylpentanoyl)phenyl]butyl] acetate;N-[1-hydroxy-2-(hydroxymethyl)-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide
CID 160568930
[2-acetamido-2-(acetyloxymethyl)-4-[4-(4-phenylbutyl)phenyl]butyl] acetate
CID 143349457
[2-acetamido-2-(acetyloxymethyl)-4-(4-octanoylphenyl)butyl] acetate;[2-acetamido-2-(acetyloxymethyl)-4-phenylbutyl] acetate;diiodovanadium;molecular iodine
CID 165099621
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide
CID 87677147
9H-fluoren-9-ylmethyl N-[1-hydroxy-2-(hydroxymethyl)-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]carbamate
CID 69204346
bis(carbon dioxide);N-[3-ethyl-1-[4-[4-(4-oxopentanoyl)phenoxy]phenyl]pentan-3-yl]acetamide
CID 158827851
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
N-[(2S)-1-bromo-2-(hydroxymethyl)-4-phenylbutan-2-yl]acetamide
CID 138964694
2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;1-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]octan-1-one;2-amino-2-methyl-4-[4-(4-phenylbutoxy)phenyl]butan-1-ol;hydrochloride
CID 160514502
N-[(3R)-4-tert-butylsilyloxy-3,4-dimethyl-1-[4-(6,6,6-trifluorohexanoyl)phenyl]pentan-3-yl]acetamide
CID 131727727
1-[4-[3,6-diamino-4,5-dihydroxy-3,6-bis(hydroxymethyl)-8-(4-octylphenyl)octyl]phenyl]-5-phenylpentan-1-one
CID 57436145
4-[5-(4-hydroxyphenyl)-5-oxopentyl]benzoic acid
CID 72714561

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide (CID 15516680) is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide is CC(=O)NC(CCc1ccc(C(=O)CCCCc2ccccc2)cc1)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide?
The InChIKey is IDHMNXJURHZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59NO4Si2/c1-29(38)37-36(27-40-42(8,9)34(2,3)4,28-41-43(10,11)35(5,6)7)26-25-31-21-23-32(24-22-31)33(39)20-16-15-19-30-17-13-12-14-18-30/h12-14,17-18,21-24H,15-16,19-20,25-28H2,1-11H3,(H,37,38).
What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide?
N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide has a molecular weight of 626.04 g/mol, XLogP of 9.13, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-(5-phenylpentanoyl)phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 15516680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).