(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide

C18H20N2O — CID 115343949

IUPAC(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide
SMILESCc1cccc(CCNC(=O)/C=C/c2ccc(N)cc2)c1
InChIInChI=1S/C18H20N2O/c1-14-3-2-4-16(13-14)11-12-20-18(21)10-7-15-5-8-17(19)9-6-15/h2-10,13H,11-12,19H2,1H3,(H,20,21)/b10-7+
InChIKeyRKWDMXINQYOLJK-JXMROGBWSA-N
MW280.37 g/mol
LogP2.95
Rot. Bonds5

About (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide (PubChem CID 115343949) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide
PubChem CID115343949
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide
SMILESCc1cccc(CCNC(=O)/C=C/c2ccc(N)cc2)c1
InChIInChI=1S/C18H20N2O/c1-14-3-2-4-16(13-14)11-12-20-18(21)10-7-15-5-8-17(19)9-6-15/h2-10,13H,11-12,19H2,1H3,(H,20,21)/b10-7+
InChIKeyRKWDMXINQYOLJK-JXMROGBWSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.95
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'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
(E)-N-[2-(3-chlorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 34406222
(E)-3-(4-aminophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 115344348
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
(E)-N-(4-aminobutyl)-3-(4-aminophenyl)prop-2-enamide
CID 113290885
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]prop-2-enamide
CID 134186866
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 134031178
ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]acetate
CID 113290856

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide (CID 115343949) is (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide is Cc1cccc(CCNC(=O)/C=C/c2ccc(N)cc2)c1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is RKWDMXINQYOLJK-JXMROGBWSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-3-2-4-16(13-14)11-12-20-18(21)10-7-15-5-8-17(19)9-6-15/h2-10,13H,11-12,19H2,1H3,(H,20,21)/b10-7+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 115343949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).