(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide

C14H20N2O — CID 115342798

IUPAC(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H20N2O/c1-11(2)10-16(3)14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10,15H2,1-3H3/b9-6+
InChIKeyLZDFBEPXFJPEEA-RMKNXTFCSA-N
MW232.33 g/mol
LogP2.40
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide (PubChem CID 115342798) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
PubChem CID115342798
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H20N2O/c1-11(2)10-16(3)14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10,15H2,1-3H3/b9-6+
InChIKeyLZDFBEPXFJPEEA-RMKNXTFCSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide (CID 115342798) is (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide is CC(C)CN(C)C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is LZDFBEPXFJPEEA-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)10-16(3)14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10,15H2,1-3H3/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 115342798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).