(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide

C14H16N4O — CID 115344385

IUPAC(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H16N4O/c15-12-4-1-11(2-5-12)3-6-14(19)17-8-7-13-9-16-10-18-13/h1-6,9-10H,7-8,15H2,(H,16,18)(H,17,19)/b6-3+
InChIKeyUGENCRIEIISWKE-ZZXKWVIFSA-N
MW256.31 g/mol
LogP1.36
Rot. Bonds5

About (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (PubChem CID 115344385) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
PubChem CID115344385
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H16N4O/c15-12-4-1-11(2-5-12)3-6-14(19)17-8-7-13-9-16-10-18-13/h1-6,9-10H,7-8,15H2,(H,16,18)(H,17,19)/b6-3+
InChIKeyUGENCRIEIISWKE-ZZXKWVIFSA-N
XLogP1.36
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
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-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 113290978
(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 6443545
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
N-[2-(1H-imidazol-5-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 77021910
3-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 77022306
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 115913761
N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77022280
(E)-N-(4-aminobutyl)-3-(4-aminophenyl)prop-2-enamide
CID 113290885
(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide
CID 115343949
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide (CID 115344385) is (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is Nc1ccc(/C=C/C(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is UGENCRIEIISWKE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-4-1-11(2-5-12)3-6-14(19)17-8-7-13-9-16-10-18-13/h1-6,9-10H,7-8,15H2,(H,16,18)(H,17,19)/b6-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 256.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 115344385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).