N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide

C20H20N2O2 — CID 3714314

IUPACN-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccc(-c2ccc(C(=O)NCC=C)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-13-21-19(23)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(24)22-14-4-2/h3-12H,1-2,13-14H2,(H,21,23)(H,22,24)
InChIKeySTKAUMNBGSAMIM-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.19
Rot. Bonds7

About N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide

N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 3714314) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID3714314
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccc(-c2ccc(C(=O)NCC=C)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-13-21-19(23)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(24)22-14-4-2/h3-12H,1-2,13-14H2,(H,21,23)(H,22,24)
InChIKeySTKAUMNBGSAMIM-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
4-hydrazinyl-N-prop-2-enylbenzamide
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CID 54451991
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 3714314) is N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccc(-c2ccc(C(=O)NCC=C)cc2)cc1.
What is the InChIKey of N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is STKAUMNBGSAMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-13-21-19(23)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(24)22-14-4-2/h3-12H,1-2,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide?
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 3714314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).