(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide

C17H16N2O3 — CID 141390620

IUPAC(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1-c1ccccc1C(O)C(N)=O
InChIInChI=1S/C17H16N2O3/c18-15(20)10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)16(21)17(19)22/h1-10,16,21H,(H2,18,20)(H2,19,22)/b10-9+
InChIKeyQKQMDFDLZCRVQE-MDZDMXLPSA-N
MW296.33 g/mol
LogP1.37
Rot. Bonds5

About (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide

(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide (PubChem CID 141390620) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide
PubChem CID141390620
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1-c1ccccc1C(O)C(N)=O
InChIInChI=1S/C17H16N2O3/c18-15(20)10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)16(21)17(19)22/h1-10,16,21H,(H2,18,20)(H2,19,22)/b10-9+
InChIKeyQKQMDFDLZCRVQE-MDZDMXLPSA-N
XLogP1.37
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide (CID 141390620) is (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide is NC(=O)/C=C/c1ccccc1-c1ccccc1C(O)C(N)=O.
What is the InChIKey of (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide?
The InChIKey is QKQMDFDLZCRVQE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16N2O3/c18-15(20)10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)16(21)17(19)22/h1-10,16,21H,(H2,18,20)(H2,19,22)/b10-9+.
What are the key properties of (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide?
(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 141390620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).