4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide

C21H24N2O2 — CID 109043561

IUPAC4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-5-14-22-19(24)15-10-12-16(13-11-15)20(25)23-18-9-7-6-8-17(18)21(2,3)4/h5-13H,1,14H2,2-4H3,(H,22,24)(H,23,25)
InChIKeyRADKTTVHKRWOKE-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.15
Rot. Bonds5

About 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide

4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (PubChem CID 109043561) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
PubChem CID109043561
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-5-14-22-19(24)15-10-12-16(13-11-15)20(25)23-18-9-7-6-8-17(18)21(2,3)4/h5-13H,1,14H2,2-4H3,(H,22,24)(H,23,25)
InChIKeyRADKTTVHKRWOKE-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.15
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-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110491
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (CID 109043561) is 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide is C=CCNC(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The InChIKey is RADKTTVHKRWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-14-22-19(24)15-10-12-16(13-11-15)20(25)23-18-9-7-6-8-17(18)21(2,3)4/h5-13H,1,14H2,2-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).