4-(phenoxymethyl)-N-phenylmethoxybenzamide

C21H19NO3 — CID 41450965

IUPAC4-(phenoxymethyl)-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-21(22-25-16-17-7-3-1-4-8-17)19-13-11-18(12-14-19)15-24-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23)
InChIKeyLAGWSRZBNUWAQF-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.13
Rot. Bonds7

About 4-(phenoxymethyl)-N-phenylmethoxybenzamide

4-(phenoxymethyl)-N-phenylmethoxybenzamide (PubChem CID 41450965) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(phenoxymethyl)-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-(phenoxymethyl)-N-phenylmethoxybenzamide
PubChem CID41450965
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-(phenoxymethyl)-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-21(22-25-16-17-7-3-1-4-8-17)19-13-11-18(12-14-19)15-24-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23)
InChIKeyLAGWSRZBNUWAQF-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-bromo-N-phenylmethoxybenzamide
CID 41450559
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-N-phenylmethoxybenzamide?
The IUPAC name of 4-(phenoxymethyl)-N-phenylmethoxybenzamide (CID 41450965) is 4-(phenoxymethyl)-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-(phenoxymethyl)-N-phenylmethoxybenzamide?
The canonical SMILES for 4-(phenoxymethyl)-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 4-(phenoxymethyl)-N-phenylmethoxybenzamide?
The InChIKey is LAGWSRZBNUWAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-21(22-25-16-17-7-3-1-4-8-17)19-13-11-18(12-14-19)15-24-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23).
What are the key properties of 4-(phenoxymethyl)-N-phenylmethoxybenzamide?
4-(phenoxymethyl)-N-phenylmethoxybenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-N-phenylmethoxybenzamide is sourced from PubChem (CID 41450965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).