(E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide

C22H28N2O — CID 59031475

IUPAC(E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(C)c(-c2ccc(N)cc2)cc1C)C(=O)NC(C)(C)C
InChIInChI=1S/C22H28N2O/c1-14-13-20(17-7-9-19(23)10-8-17)15(2)11-18(14)12-16(3)21(25)24-22(4,5)6/h7-13H,23H2,1-6H3,(H,24,25)/b16-12+
InChIKeyOQVDXXKOQIJBAP-FOWTUZBSSA-N
MW336.48 g/mol
LogP4.87
Rot. Bonds3

About (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide

(E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide (PubChem CID 59031475) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide
PubChem CID59031475
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(C)c(-c2ccc(N)cc2)cc1C)C(=O)NC(C)(C)C
InChIInChI=1S/C22H28N2O/c1-14-13-20(17-7-9-19(23)10-8-17)15(2)11-18(14)12-16(3)21(25)24-22(4,5)6/h7-13H,23H2,1-6H3,(H,24,25)/b16-12+
InChIKeyOQVDXXKOQIJBAP-FOWTUZBSSA-N
XLogP4.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2,5-dimethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]-N-methoxy-2-methylprop-2-enamide
CID 59031214
(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide
CID 59031282
(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031138
(E)-3-[2,5-dimethyl-4-(1H-pyrrol-3-yl)phenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031511
(E)-3-[4-[3-fluoro-4-(propan-2-ylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031522
3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylprop-2-enamide
CID 91018713
(2E)-2-[[2,5-dimethyl-4-[4-(3,3,3-trifluoropropylamino)phenyl]phenyl]methylidene]butanamide
CID 162551792
3-[[(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enoyl]amino]propanoic acid
CID 59031669
[5-[2,5-dimethyl-4-[(E)-2-methyl-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate
CID 59031506
4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
CID 89203284
N-(cyanomethyl)-3-[4-[4-(cyclopentylamino)-3-fluorophenyl]-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 73036200
(E)-N-(benzenesulfonyl)-3-[4-[3-fluoro-4-(propan-2-ylamino)phenyl]-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 59031309

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide (CID 59031475) is (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide is C/C(=C\c1cc(C)c(-c2ccc(N)cc2)cc1C)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide?
The InChIKey is OQVDXXKOQIJBAP-FOWTUZBSSA-N. The full InChI is InChI=1S/C22H28N2O/c1-14-13-20(17-7-9-19(23)10-8-17)15(2)11-18(14)12-16(3)21(25)24-22(4,5)6/h7-13H,23H2,1-6H3,(H,24,25)/b16-12+.
What are the key properties of (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide?
(E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide has a molecular weight of 336.48 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide is sourced from PubChem (CID 59031475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).