N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide

C27H23NO3 — CID 17130808

IUPACN-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23NO3/c29-27(23-17-15-22(16-18-23)21-9-3-1-4-10-21)28-25-13-7-8-14-26(25)31-20-19-30-24-11-5-2-6-12-24/h1-18H,19-20H2,(H,28,29)
InChIKeyQNZJZFSQPOLIBD-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.06
Rot. Bonds8

About N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide

N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide (PubChem CID 17130808) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
PubChem CID17130808
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC NameN-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23NO3/c29-27(23-17-15-22(16-18-23)21-9-3-1-4-10-21)28-25-13-7-8-14-26(25)31-20-19-30-24-11-5-2-6-12-24/h1-18H,19-20H2,(H,28,29)
InChIKeyQNZJZFSQPOLIBD-UHFFFAOYSA-N
XLogP6.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17130921
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130
N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131025
2-iodo-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130833
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide (CID 17130808) is N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide is O=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide?
The InChIKey is QNZJZFSQPOLIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c29-27(23-17-15-22(16-18-23)21-9-3-1-4-10-21)28-25-13-7-8-14-26(25)31-20-19-30-24-11-5-2-6-12-24/h1-18H,19-20H2,(H,28,29).
What are the key properties of N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide?
N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 17130808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).