4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide

C24H24N2O4 — CID 17188307

IUPAC4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O4/c1-2-23(27)25-19-7-6-8-20(17-19)26-24(28)18-11-13-22(14-12-18)30-16-15-29-21-9-4-3-5-10-21/h3-14,17H,2,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyRCMVVWMNQGELSL-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.75
Rot. Bonds9

About 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide

4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide (PubChem CID 17188307) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
PubChem CID17188307
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O4/c1-2-23(27)25-19-7-6-8-20(17-19)26-24(28)18-11-13-22(14-12-18)30-16-15-29-21-9-4-3-5-10-21/h3-14,17H,2,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyRCMVVWMNQGELSL-UHFFFAOYSA-N
XLogP4.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
CID 54788417
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-(2-phenylethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188641
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
The IUPAC name of 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide (CID 17188307) is 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1cccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
The InChIKey is RCMVVWMNQGELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-23(27)25-19-7-6-8-20(17-19)26-24(28)18-11-13-22(14-12-18)30-16-15-29-21-9-4-3-5-10-21/h3-14,17H,2,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide?
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 17188307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).