N-(8-hydroxyoctyl)-N-phenylmethoxyformamide

C16H25NO3 — CID 57042155

IUPACN-(8-hydroxyoctyl)-N-phenylmethoxyformamide
SMILESO=CN(CCCCCCCCO)OCc1ccccc1
InChIInChI=1S/C16H25NO3/c18-13-9-4-2-1-3-8-12-17(15-19)20-14-16-10-6-5-7-11-16/h5-7,10-11,15,18H,1-4,8-9,12-14H2
InChIKeySXMFGPBWIGRHJI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.91
Rot. Bonds12

About N-(8-hydroxyoctyl)-N-phenylmethoxyformamide

N-(8-hydroxyoctyl)-N-phenylmethoxyformamide (PubChem CID 57042155) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(8-hydroxyoctyl)-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-(8-hydroxyoctyl)-N-phenylmethoxyformamide
PubChem CID57042155
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(8-hydroxyoctyl)-N-phenylmethoxyformamide
SMILESO=CN(CCCCCCCCO)OCc1ccccc1
InChIInChI=1S/C16H25NO3/c18-13-9-4-2-1-3-8-12-17(15-19)20-14-16-10-6-5-7-11-16/h5-7,10-11,15,18H,1-4,8-9,12-14H2
InChIKeySXMFGPBWIGRHJI-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-N-phenylmethoxyformamide
CID 87139283
N-pentyl-N-phenylmethoxyformamide
CID 88956477
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide
CID 57164211
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
methyl 7-[formyl(phenylmethoxy)amino]-3-oxo-2-phenylheptanoate
CID 57082601
N-[[formyl(phenylmethoxy)amino]methyl]decanamide
CID 54293810
[4-[formyl(phenylmethoxy)amino]-2-methyl-1-phosphonobutyl]phosphonic acid
CID 90923448
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
N-methyl-N-phenylmethoxyformamide
CID 57089495
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxyoctyl)-N-phenylmethoxyformamide?
The IUPAC name of N-(8-hydroxyoctyl)-N-phenylmethoxyformamide (CID 57042155) is N-(8-hydroxyoctyl)-N-phenylmethoxyformamide.
What is the SMILES notation for N-(8-hydroxyoctyl)-N-phenylmethoxyformamide?
The canonical SMILES for N-(8-hydroxyoctyl)-N-phenylmethoxyformamide is O=CN(CCCCCCCCO)OCc1ccccc1.
What is the InChIKey of N-(8-hydroxyoctyl)-N-phenylmethoxyformamide?
The InChIKey is SXMFGPBWIGRHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-13-9-4-2-1-3-8-12-17(15-19)20-14-16-10-6-5-7-11-16/h5-7,10-11,15,18H,1-4,8-9,12-14H2.
What are the key properties of N-(8-hydroxyoctyl)-N-phenylmethoxyformamide?
N-(8-hydroxyoctyl)-N-phenylmethoxyformamide has a molecular weight of 279.38 g/mol, XLogP of 2.91, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyoctyl)-N-phenylmethoxyformamide is sourced from PubChem (CID 57042155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).