N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide

C19H20N2O3 — CID 17188298

IUPACN-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-12-24-17-10-8-14(9-11-17)19(23)21-16-7-5-6-15(13-16)20-18(22)4-2/h3,5-11,13H,1,4,12H2,2H3,(H,20,22)(H,21,23)
InChIKeyDYGZDHKSDLCIKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.85
Rot. Bonds7

About N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide

N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide (PubChem CID 17188298) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
PubChem CID17188298
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-12-24-17-10-8-14(9-11-17)19(23)21-16-7-5-6-15(13-16)20-18(22)4-2/h3,5-11,13H,1,4,12H2,2H3,(H,20,22)(H,21,23)
InChIKeyDYGZDHKSDLCIKR-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290

Frequently Asked Questions

What is the IUPAC name of N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide (CID 17188298) is N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1.
What is the InChIKey of N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide?
The InChIKey is DYGZDHKSDLCIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-12-24-17-10-8-14(9-11-17)19(23)21-16-7-5-6-15(13-16)20-18(22)4-2/h3,5-11,13H,1,4,12H2,2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide?
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 17188298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).