N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide

C24H25NO4 — CID 17169886

IUPACN-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
SMILESCOCCOc1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO4/c1-27-16-17-29-23-9-5-8-21(18-23)25-24(26)20-10-12-22(13-11-20)28-15-14-19-6-3-2-4-7-19/h2-13,18H,14-17H2,1H3,(H,25,26)
InChIKeyNMIKFOSNUAJSID-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.59
Rot. Bonds10

About N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide

N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide (PubChem CID 17169886) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
PubChem CID17169886
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
SMILESCOCCOc1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO4/c1-27-16-17-29-23-9-5-8-21(18-23)25-24(26)20-10-12-22(13-11-20)28-15-14-19-6-3-2-4-7-19/h2-13,18H,14-17H2,1H3,(H,25,26)
InChIKeyNMIKFOSNUAJSID-UHFFFAOYSA-N
XLogP4.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.59
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

4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-(2-phenoxyethoxy)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142352
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide (CID 17169886) is N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide is COCCOc1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
The InChIKey is NMIKFOSNUAJSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-27-16-17-29-23-9-5-8-21(18-23)25-24(26)20-10-12-22(13-11-20)28-15-14-19-6-3-2-4-7-19/h2-13,18H,14-17H2,1H3,(H,25,26).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide?
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17169886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).