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

C22H19NO2 — CID 898659

IUPAC(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c1-17-7-9-18(10-8-17)11-16-22(24)23-19-12-14-21(15-13-19)25-20-5-3-2-4-6-20/h2-16H,1H3,(H,23,24)/b16-11+
InChIKeyHNDIYVRRNDUVMA-LFIBNONCSA-N
MW329.40 g/mol
LogP5.44
Rot. Bonds5

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

(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide (PubChem CID 898659) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
PubChem CID898659
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c1-17-7-9-18(10-8-17)11-16-22(24)23-19-12-14-21(15-13-19)25-20-5-3-2-4-6-20/h2-16H,1H3,(H,23,24)/b16-11+
InChIKeyHNDIYVRRNDUVMA-LFIBNONCSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(4-methylphenyl)prop-2-enoate
CID 3266177
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
3-(4-methylphenyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 5134590
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6235210
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide (CID 898659) is (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The InChIKey is HNDIYVRRNDUVMA-LFIBNONCSA-N. The full InChI is InChI=1S/C22H19NO2/c1-17-7-9-18(10-8-17)11-16-22(24)23-19-12-14-21(15-13-19)25-20-5-3-2-4-6-20/h2-16H,1H3,(H,23,24)/b16-11+.
What are the key properties of (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide has a molecular weight of 329.40 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 898659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).