(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide

C14H21N3O — CID 82944929

IUPAC(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
SMILESCC(CN(C)C)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-11(10-17(2)3)16-14(18)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10,15H2,1-3H3,(H,16,18)/b9-6+
InChIKeyOAXFEEICHQESGM-RMKNXTFCSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds5

About (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide (PubChem CID 82944929) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
PubChem CID82944929
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
SMILESCC(CN(C)C)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-11(10-17(2)3)16-14(18)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10,15H2,1-3H3,(H,16,18)/b9-6+
InChIKeyOAXFEEICHQESGM-RMKNXTFCSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
CID 103109148
(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
CID 113290911
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
(E)-3-(4-aminophenyl)-N-(2-methylpentan-3-yl)prop-2-enamide
CID 113290901
methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095
(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 115342798
(E)-3-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]phenyl]prop-2-enoic acid
CID 82949775
(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
CID 115343629

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide (CID 82944929) is (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide is CC(CN(C)C)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide?
The InChIKey is OAXFEEICHQESGM-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(10-17(2)3)16-14(18)9-6-12-4-7-13(15)8-5-12/h4-9,11H,10,15H2,1-3H3,(H,16,18)/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 82944929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).