[(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate

C18H17NO3 — CID 679871

IUPAC[(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate
SMILESCCOc1ccc(C=NOC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H17NO3/c1-2-21-17-11-8-16(9-12-17)14-19-22-18(20)13-10-15-6-4-3-5-7-15/h3-14H,2H2,1H3/b13-10+,19-14?
InChIKeyJCUUFOJYTJIZBH-FFJIKSGMSA-N
MW295.34 g/mol
LogP3.68
Rot. Bonds6

About [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate

[(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate (PubChem CID 679871) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate
PubChem CID679871
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name[(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate
SMILESCCOc1ccc(C=NOC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H17NO3/c1-2-21-17-11-8-16(9-12-17)14-19-22-18(20)13-10-15-6-4-3-5-7-15/h3-14H,2H2,1H3/b13-10+,19-14?
InChIKeyJCUUFOJYTJIZBH-FFJIKSGMSA-N
XLogP3.68
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
tert-butyl (E)-3-(4-ethoxyphenyl)prop-2-eneperoxoate
CID 142376825
(2-methylphenyl) 3-(4-ethoxyphenyl)prop-2-enoate
CID 731126
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(1-anilino-1-oxopropan-2-yl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 78763934
[4-(carbamoyliminomethyl)phenyl] (E)-3-phenylprop-2-enoate
CID 167564402
(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566915
[(E)-(4-ethoxyphenyl)methylideneamino] 4-chlorobenzoate
CID 6873737
prop-2-ynyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 14030026
[4-[[[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4094463

Frequently Asked Questions

What is the IUPAC name of [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate (CID 679871) is [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate is CCOc1ccc(C=NOC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate?
The InChIKey is JCUUFOJYTJIZBH-FFJIKSGMSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-17-11-8-16(9-12-17)14-19-22-18(20)13-10-15-6-4-3-5-7-15/h3-14H,2H2,1H3/b13-10+,19-14?.
What are the key properties of [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate?
[(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate has a molecular weight of 295.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethoxyphenyl)methylideneamino] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 679871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).