(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C18H20N2O — CID 28854457

IUPAC(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3-13H,19H2,1-2H3,(H,20,21)/b12-5+
InChIKeyYIQWUTFGOAWNPD-LFYBBSHMSA-N
MW280.37 g/mol
LogP4.04
Rot. Bonds4

About (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 28854457) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID28854457
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3-13H,19H2,1-2H3,(H,20,21)/b12-5+
InChIKeyYIQWUTFGOAWNPD-LFYBBSHMSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 766245
ethyl 4-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]benzoate
CID 766243
(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
N-[4-(acetylcarbamothioylamino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5121311
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1290295
(E)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1491042

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 28854457) is (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N)cc2)cc1.
What is the InChIKey of (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is YIQWUTFGOAWNPD-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3-13H,19H2,1-2H3,(H,20,21)/b12-5+.
What are the key properties of (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 28854457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).