(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide

C14H19N3O2 — CID 115342821

IUPAC(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCN(C)C(=O)CN(C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H19N3O2/c1-16(2)14(19)10-17(3)13(18)9-6-11-4-7-12(15)8-5-11/h4-9H,10,15H2,1-3H3/b9-6+
InChIKeyPRENNZYBGHUOND-RMKNXTFCSA-N
MW261.32 g/mol
LogP0.83
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide

(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 115342821) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID115342821
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCN(C)C(=O)CN(C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H19N3O2/c1-16(2)14(19)10-17(3)13(18)9-6-11-4-7-12(15)8-5-11/h4-9H,10,15H2,1-3H3/b9-6+
InChIKeyPRENNZYBGHUOND-RMKNXTFCSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 115343343
(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 115342798
(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 115342919
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 115343538
(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide
CID 113475584
(E)-3-(4-aminophenyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylprop-2-enamide
CID 115343354
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-methylamino]acetic acid
CID 43092174
(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
ethyl 3-[[(E)-3-(4-aminophenyl)prop-2-enoyl]-ethylamino]propanoate
CID 84552732
(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
CID 115343447
(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
CID 115344642

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide (CID 115342821) is (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide is CN(C)C(=O)CN(C)C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is PRENNZYBGHUOND-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)14(19)10-17(3)13(18)9-6-11-4-7-12(15)8-5-11/h4-9H,10,15H2,1-3H3/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 115342821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).