N-phenyl-N'-phenylmethoxyoctanediamide

C21H26N2O3 — CID 122177623

IUPACN-phenyl-N'-phenylmethoxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25)
InChIKeyKQODFZXYJOSWAW-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.21
Rot. Bonds11

About N-phenyl-N'-phenylmethoxyoctanediamide

N-phenyl-N'-phenylmethoxyoctanediamide (PubChem CID 122177623) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-phenyl-N'-phenylmethoxyoctanediamide.

Molecular Properties

Compound NameN-phenyl-N'-phenylmethoxyoctanediamide
PubChem CID122177623
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-phenyl-N'-phenylmethoxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25)
InChIKeyKQODFZXYJOSWAW-UHFFFAOYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-phenylmethoxyoctanediamide?
The IUPAC name of N-phenyl-N'-phenylmethoxyoctanediamide (CID 122177623) is N-phenyl-N'-phenylmethoxyoctanediamide.
What is the SMILES notation for N-phenyl-N'-phenylmethoxyoctanediamide?
The canonical SMILES for N-phenyl-N'-phenylmethoxyoctanediamide is O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1.
What is the InChIKey of N-phenyl-N'-phenylmethoxyoctanediamide?
The InChIKey is KQODFZXYJOSWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25).
What are the key properties of N-phenyl-N'-phenylmethoxyoctanediamide?
N-phenyl-N'-phenylmethoxyoctanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-phenylmethoxyoctanediamide is sourced from PubChem (CID 122177623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).