N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide

C28H25NO4 — CID 173183648

IUPACN-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCCOc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1
InChIInChI=1S/C28H25NO4/c30-28(23-9-3-1-4-10-23)29-21-22-8-7-13-27(20-22)32-19-18-31-24-14-16-26(17-15-24)33-25-11-5-2-6-12-25/h1-17,20H,18-19,21H2,(H,29,30)
InChIKeyFDRKEQGYDGQAFU-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.87
Rot. Bonds10

About N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide

N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide (PubChem CID 173183648) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
PubChem CID173183648
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC NameN-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCCOc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1
InChIInChI=1S/C28H25NO4/c30-28(23-9-3-1-4-10-23)29-21-22-8-7-13-27(20-22)32-19-18-31-24-14-16-26(17-15-24)33-25-11-5-2-6-12-25/h1-17,20H,18-19,21H2,(H,29,30)
InChIKeyFDRKEQGYDGQAFU-UHFFFAOYSA-N
XLogP5.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634
4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
4-(2-phenylsulfanylethoxy)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53283929
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide?
The IUPAC name of N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide (CID 173183648) is N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide?
The canonical SMILES for N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide is O=C(NCc1cccc(OCCOc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1.
What is the InChIKey of N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide?
The InChIKey is FDRKEQGYDGQAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c30-28(23-9-3-1-4-10-23)29-21-22-8-7-13-27(20-22)32-19-18-31-24-14-16-26(17-15-24)33-25-11-5-2-6-12-25/h1-17,20H,18-19,21H2,(H,29,30).
What are the key properties of N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide?
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide has a molecular weight of 439.51 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 173183648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).