(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide

C18H19NO3 — CID 9227515

IUPAC(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-2-21-17-11-8-15(9-12-17)10-13-18(20)19-22-14-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,19,20)/b13-10+
InChIKeyKSFQEHFJAIXLKL-JLHYYAGUSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds7

About (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide (PubChem CID 9227515) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
PubChem CID9227515
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-2-21-17-11-8-15(9-12-17)10-13-18(20)19-22-14-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,19,20)/b13-10+
InChIKeyKSFQEHFJAIXLKL-JLHYYAGUSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-ethoxyphenyl)prop-2-enoylamino]oxyacetic acid
CID 76873636
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551
benzyl 3-[4-(2,2-diethoxyethoxy)phenyl]prop-2-enoate
CID 141278976
[4-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]phenyl] 4-ethoxybenzoate
CID 122226068
(E)-N-[benzyl(methyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227324
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide
CID 32577096
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
3-(3-chloro-4-fluorophenyl)-N-phenylmethoxyprop-2-enamide
CID 78906732
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide (CID 9227515) is (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide is CCOc1ccc(/C=C/C(=O)NOCc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide?
The InChIKey is KSFQEHFJAIXLKL-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-21-17-11-8-15(9-12-17)10-13-18(20)19-22-14-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,19,20)/b13-10+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide is sourced from PubChem (CID 9227515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).