(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide

C19H19NO2 — CID 17122405

IUPAC(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
SMILESC=C(C)COc1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-15(2)14-22-18-10-6-9-17(13-18)20-19(21)12-11-16-7-4-3-5-8-16/h3-13H,1,14H2,2H3,(H,20,21)/b12-11+
InChIKeyJDNCECBTRPXFLG-VAWYXSNFSA-N
MW293.37 g/mol
LogP4.29
Rot. Bonds6

About (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide

(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide (PubChem CID 17122405) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
PubChem CID17122405
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
SMILESC=C(C)COc1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-15(2)14-22-18-10-6-9-17(13-18)20-19(21)12-11-16-7-4-3-5-8-16/h3-13H,1,14H2,2H3,(H,20,21)/b12-11+
InChIKeyJDNCECBTRPXFLG-VAWYXSNFSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 142433214
(E)-N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 135337273
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 17195517
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
CID 17122473
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide (CID 17122405) is (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide is C=C(C)COc1cccc(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide?
The InChIKey is JDNCECBTRPXFLG-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19NO2/c1-15(2)14-22-18-10-6-9-17(13-18)20-19(21)12-11-16-7-4-3-5-8-16/h3-13H,1,14H2,2H3,(H,20,21)/b12-11+.
What are the key properties of (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide?
(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 17122405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).