N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide

C40H64N2O6Si — CID 158535556

IUPACN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide
SMILESCCCCCC(=O)C(=O)NCCCCCO.CCCCCC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO3Si.C12H23NO3/c1-5-6-10-21-26(30)27(31)29-22-15-9-16-23-32-33(28(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-2-3-5-8-11(15)12(16)13-9-6-4-7-10-14/h7-8,11-14,17-20H,5-6,9-10,15-16,21-23H2,1-4H3,(H,29,31);14H,2-10H2,1H3,(H,13,16)
InChIKeyHNXBSPPXPNDXMK-UHFFFAOYSA-N
MW697.05 g/mol
LogP6.41
Rot. Bonds24

About N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide

N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide (PubChem CID 158535556) has the molecular formula C40H64N2O6Si and a molecular weight of 697.05 g/mol. Its IUPAC name is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide
PubChem CID158535556
Molecular FormulaC40H64N2O6Si
Molecular Weight697.05 g/mol
Exact Mass696.45
IUPAC NameN-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide
SMILESCCCCCC(=O)C(=O)NCCCCCO.CCCCCC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO3Si.C12H23NO3/c1-5-6-10-21-26(30)27(31)29-22-15-9-16-23-32-33(28(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-2-3-5-8-11(15)12(16)13-9-6-4-7-10-14/h7-8,11-14,17-20H,5-6,9-10,15-16,21-23H2,1-4H3,(H,29,31);14H,2-10H2,1H3,(H,13,16)
InChIKeyHNXBSPPXPNDXMK-UHFFFAOYSA-N
XLogP6.41
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.05
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2-hydroxybutyl]Heptanamide
CID 54199636
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57070793
N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57206099
N-[(E,2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 57978525
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide
CID 59055104
N1-n-butyl-N2-(5-(tert-butyldiphenylsilyloxy)pentyl)oxalamide
CID 86716476
N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 90937236
N-[(E,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 140525745
Methyl 2-[19-[tert-butyl(diphenyl)silyl]oxyicos-14-enoylamino]acetate
CID 145367351
methyl 2-[[(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-14-enoyl]amino]acetate
CID 153316545
methyl (5Z,14Z)-19-[tert-butyl(diphenyl)silyl]oxynonadeca-5,14-dienoate;methyl 2-[[(5Z,14Z)-19-hydroxynonadeca-5,14-dienoyl]amino]acetate
CID 157649458
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-2-oxoheptanamide;N-[(Z)-12-hydroxydodec-5-enyl]-2-oxoheptanamide
CID 157886059

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide?
The IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide (CID 158535556) is N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide.
What is the SMILES notation for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide?
The canonical SMILES for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide is CCCCCC(=O)C(=O)NCCCCCO.CCCCCC(=O)C(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide?
The InChIKey is HNXBSPPXPNDXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO3Si.C12H23NO3/c1-5-6-10-21-26(30)27(31)29-22-15-9-16-23-32-33(28(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25;1-2-3-5-8-11(15)12(16)13-9-6-4-7-10-14/h7-8,11-14,17-20H,5-6,9-10,15-16,21-23H2,1-4H3,(H,29,31);14H,2-10H2,1H3,(H,13,16).
What are the key properties of N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide?
N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide has a molecular weight of 697.05 g/mol, XLogP of 6.41, 24 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2-oxoheptanamide;N-(5-hydroxypentyl)-2-oxoheptanamide is sourced from PubChem (CID 158535556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).