(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide

C19H22N2O — CID 66486373

IUPAC(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide
SMILESCN(Cc1ccc(N)cc1)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(15-17-11-13-18(20)14-12-17)19(22)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14H,6,10,15,20H2,1H3/b9-5+
InChIKeyWVRJKYZSEKXJOS-WEVVVXLNSA-N
MW294.40 g/mol
LogP3.72
Rot. Bonds6

About (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide

(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide (PubChem CID 66486373) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide
PubChem CID66486373
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide
SMILESCN(Cc1ccc(N)cc1)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(15-17-11-13-18(20)14-12-17)19(22)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14H,6,10,15,20H2,1H3/b9-5+
InChIKeyWVRJKYZSEKXJOS-WEVVVXLNSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-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)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide
CID 75407643
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
(E)-N-[(4-fluorophenyl)methyl]-N-pentan-3-yl-5-phenylpent-4-enamide
CID 66486366
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
(E)-5-phenylpent-4-enoic acid
CID 5370650
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 36784889
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544482
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
CID 43458114
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
The IUPAC name of (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide (CID 66486373) is (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide.
What is the SMILES notation for (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
The canonical SMILES for (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide is CN(Cc1ccc(N)cc1)C(=O)CC/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
The InChIKey is WVRJKYZSEKXJOS-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(15-17-11-13-18(20)14-12-17)19(22)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14H,6,10,15,20H2,1H3/b9-5+.
What are the key properties of (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide has a molecular weight of 294.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide is sourced from PubChem (CID 66486373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).