N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide

C22H26N2O4 — CID 23900156

IUPACN-(4-formylphenyl)-N'-phenylmethoxyoctanediamide
SMILESO=Cc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c25-16-18-12-14-20(15-13-18)23-21(26)10-6-1-2-7-11-22(27)24-28-17-19-8-4-3-5-9-19/h3-5,8-9,12-16H,1-2,6-7,10-11,17H2,(H,23,26)(H,24,27)
InChIKeyUECIIUVNNFNAIZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.03
Rot. Bonds12

About N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide

N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide (PubChem CID 23900156) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-N'-phenylmethoxyoctanediamide
PubChem CID23900156
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(4-formylphenyl)-N'-phenylmethoxyoctanediamide
SMILESO=Cc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c25-16-18-12-14-20(15-13-18)23-21(26)10-6-1-2-7-11-22(27)24-28-17-19-8-4-3-5-9-19/h3-5,8-9,12-16H,1-2,6-7,10-11,17H2,(H,23,26)(H,24,27)
InChIKeyUECIIUVNNFNAIZ-UHFFFAOYSA-N
XLogP4.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
7-amino-N-phenylmethoxyheptanamide
CID 59535540
[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
CID 59535547
[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
CID 59535539
(2S)-2-amino-N-phenyl-N'-phenylmethoxyoctanediamide
CID 72946637
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-phenylmethoxyhexanamide
CID 60717350
N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-N'-phenylmethoxyoctanediamide
CID 10951210
N-[4-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]phenyl]-N'-phenylmethoxyoctanediamide
CID 16733769
8-amino-N-phenylmethoxyoctanamide;ethane;ethene
CID 143768165
chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
CID 59535535
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide?
The IUPAC name of N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide (CID 23900156) is N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide.
What is the SMILES notation for N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide?
The canonical SMILES for N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide is O=Cc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1.
What is the InChIKey of N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide?
The InChIKey is UECIIUVNNFNAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-16-18-12-14-20(15-13-18)23-21(26)10-6-1-2-7-11-22(27)24-28-17-19-8-4-3-5-9-19/h3-5,8-9,12-16H,1-2,6-7,10-11,17H2,(H,23,26)(H,24,27).
What are the key properties of N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide?
N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide has a molecular weight of 382.46 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide is sourced from PubChem (CID 23900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).