(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide

C16H21N3O2 — CID 115343343

IUPAC(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESCN(CC(=O)N1CCCC1)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C16H21N3O2/c1-18(12-16(21)19-10-2-3-11-19)15(20)9-6-13-4-7-14(17)8-5-13/h4-9H,2-3,10-12,17H2,1H3/b9-6+
InChIKeyNADZOAKBIJGUPG-RMKNXTFCSA-N
MW287.36 g/mol
LogP1.36
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide (PubChem CID 115343343) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
PubChem CID115343343
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESCN(CC(=O)N1CCCC1)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C16H21N3O2/c1-18(12-16(21)19-10-2-3-11-19)15(20)9-6-13-4-7-14(17)8-5-13/h4-9H,2-3,10-12,17H2,1H3/b9-6+
InChIKeyNADZOAKBIJGUPG-RMKNXTFCSA-N
XLogP1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.36
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-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 115342821
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 71889158
2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone
CID 43458262
(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
(Z)-3-[4-(dimethylamino)phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 97305646
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 115343538
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
(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
2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 63110335

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide (CID 115343343) is (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide is CN(CC(=O)N1CCCC1)C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide?
The InChIKey is NADZOAKBIJGUPG-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(12-16(21)19-10-2-3-11-19)15(20)9-6-13-4-7-14(17)8-5-13/h4-9H,2-3,10-12,17H2,1H3/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 1.36, 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-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 115343343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).