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

C22H19NO2 — CID 126478080

IUPAC(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO2/c1-17-10-13-19(14-11-17)23-22(24)15-12-18-6-5-9-21(16-18)25-20-7-3-2-4-8-20/h2-16H,1H3,(H,23,24)/b15-12+
InChIKeyOCHFNCNATIKIQY-NTCAYCPXSA-N
MW329.40 g/mol
LogP5.44
Rot. Bonds5

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

(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide (PubChem CID 126478080) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
PubChem CID126478080
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO2/c1-17-10-13-19(14-11-17)23-22(24)15-12-18-6-5-9-21(16-18)25-20-7-3-2-4-8-20/h2-16H,1H3,(H,23,24)/b15-12+
InChIKeyOCHFNCNATIKIQY-NTCAYCPXSA-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)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 4169968
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
CID 7925007
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
CID 78773493

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide (CID 126478080) is (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The InChIKey is OCHFNCNATIKIQY-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H19NO2/c1-17-10-13-19(14-11-17)23-22(24)15-12-18-6-5-9-21(16-18)25-20-7-3-2-4-8-20/h2-16H,1H3,(H,23,24)/b15-12+.
What are the key properties of (E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
(E)-N-(4-methylphenyl)-3-(3-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)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 126478080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).