(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide

C22H19NO3 — CID 896961

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-25-18-14-11-17(12-15-18)13-16-22(24)23-20-9-5-6-10-21(20)26-19-7-3-2-4-8-19/h2-16H,1H3,(H,23,24)/b16-13+
InChIKeyQCYDWFYGGCMZOU-DTQAZKPQSA-N
MW345.40 g/mol
LogP5.14
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide (PubChem CID 896961) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
PubChem CID896961
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-25-18-14-11-17(12-15-18)13-16-22(24)23-20-9-5-6-10-21(20)26-19-7-3-2-4-8-19/h2-16H,1H3,(H,23,24)/b16-13+
InChIKeyQCYDWFYGGCMZOU-DTQAZKPQSA-N
XLogP5.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001544
(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001546
4-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174534966
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
4-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174548810
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide (CID 896961) is (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The InChIKey is QCYDWFYGGCMZOU-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-18-14-11-17(12-15-18)13-16-22(24)23-20-9-5-6-10-21(20)26-19-7-3-2-4-8-19/h2-16H,1H3,(H,23,24)/b16-13+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 896961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).