(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide

C23H20N2O3 — CID 52700184

IUPAC(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H20N2O3/c26-22(15-14-18-8-3-1-4-9-18)25-20-12-7-13-21(16-20)28-17-23(27)24-19-10-5-2-6-11-19/h1-16H,17H2,(H,24,27)(H,25,26)/b15-14+
InChIKeyDEJGJWLGTLHQMJ-CCEZHUSRSA-N
MW372.42 g/mol
LogP4.36
Rot. Bonds7

About (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide

(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide (PubChem CID 52700184) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
PubChem CID52700184
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H20N2O3/c26-22(15-14-18-8-3-1-4-9-18)25-20-12-7-13-21(16-20)28-17-23(27)24-19-10-5-2-6-11-19/h1-16H,17H2,(H,24,27)(H,25,26)/b15-14+
InChIKeyDEJGJWLGTLHQMJ-CCEZHUSRSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
CID 17122405
N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 142433214
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
(E)-N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 135337273
(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 17195517
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509097
[2-(3-methoxyanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991685
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide (CID 52700184) is (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc(OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide?
The InChIKey is DEJGJWLGTLHQMJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(15-14-18-8-3-1-4-9-18)25-20-12-7-13-21(16-20)28-17-23(27)24-19-10-5-2-6-11-19/h1-16H,17H2,(H,24,27)(H,25,26)/b15-14+.
What are the key properties of (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide?
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide has a molecular weight of 372.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 52700184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).