N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide

C20H18N2O4 — CID 177498938

IUPACN-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide
SMILESC=C(CC(=O)c1ccccc1C(=O)NC(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-13(19(25)22-15-8-4-3-5-9-15)12-18(24)16-10-6-7-11-17(16)20(26)21-14(2)23/h3-11H,1,12H2,2H3,(H,22,25)(H,21,23,26)
InChIKeyJADNMDHYTQEWJV-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.73
Rot. Bonds6

About N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide

N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide (PubChem CID 177498938) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide.

Molecular Properties

Compound NameN-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide
PubChem CID177498938
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide
SMILESC=C(CC(=O)c1ccccc1C(=O)NC(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-13(19(25)22-15-8-4-3-5-9-15)12-18(24)16-10-6-7-11-17(16)20(26)21-14(2)23/h3-11H,1,12H2,2H3,(H,22,25)(H,21,23,26)
InChIKeyJADNMDHYTQEWJV-UHFFFAOYSA-N
XLogP2.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
2-N-acetylbenzene-1,2-dicarboxamide
CID 19607558
2-anilino-N-phenylprop-2-enamide
CID 20522355
cobalt;N-phenylacetamide
CID 158689050
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
2-(butylaminomethyl)-N-phenylprop-2-enamide
CID 10376659
3-oxo-N-phenylbutanamide
CID 161275903
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
acetyl bromide;N-phenylacetamide
CID 175285562

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide?
The IUPAC name of N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide (CID 177498938) is N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide.
What is the SMILES notation for N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide?
The canonical SMILES for N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide is C=C(CC(=O)c1ccccc1C(=O)NC(C)=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide?
The InChIKey is JADNMDHYTQEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13(19(25)22-15-8-4-3-5-9-15)12-18(24)16-10-6-7-11-17(16)20(26)21-14(2)23/h3-11H,1,12H2,2H3,(H,22,25)(H,21,23,26).
What are the key properties of N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide?
N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide has a molecular weight of 350.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide is sourced from PubChem (CID 177498938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).