N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide

C25H27NO4 — CID 17073434

IUPACN-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C25H27NO4/c1-3-24(25(27)26-21-11-15-22(16-12-21)29-18-17-28-2)30-23-13-9-20(10-14-23)19-7-5-4-6-8-19/h4-16,24H,3,17-18H2,1-2H3,(H,26,27)
InChIKeyFXJGAHQZFWJMEX-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.17
Rot. Bonds10

About N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide

N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide (PubChem CID 17073434) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
PubChem CID17073434
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C25H27NO4/c1-3-24(25(27)26-21-11-15-22(16-12-21)29-18-17-28-2)30-23-13-9-20(10-14-23)19-7-5-4-6-8-19/h4-16,24H,3,17-18H2,1-2H3,(H,26,27)
InChIKeyFXJGAHQZFWJMEX-UHFFFAOYSA-N
XLogP5.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.17
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

(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide (CID 17073434) is N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCCOC)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
The InChIKey is FXJGAHQZFWJMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-24(25(27)26-21-11-15-22(16-12-21)29-18-17-28-2)30-23-13-9-20(10-14-23)19-7-5-4-6-8-19/h4-16,24H,3,17-18H2,1-2H3,(H,26,27).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide?
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide has a molecular weight of 405.49 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide is sourced from PubChem (CID 17073434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).