(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'}

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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).