N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide

C19H20N2O3 — CID 1280148

IUPACN-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=NNC(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-18-11-6-16(7-12-18)14-20-21-19(22)13-8-15-4-9-17(23-2)10-5-15/h4-14H,3H2,1-2H3,(H,21,22)
InChIKeyLARBIXKNDYMWJD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.26
Rot. Bonds7

About N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide

N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 1280148) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID1280148
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=NNC(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-18-11-6-16(7-12-18)14-20-21-19(22)13-8-15-4-9-17(23-2)10-5-15/h4-14H,3H2,1-2H3,(H,21,22)
InChIKeyLARBIXKNDYMWJD-UHFFFAOYSA-N
XLogP3.26
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 126063270
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
[4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3809444

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide (CID 1280148) is N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide is CCOc1ccc(C=NNC(=O)C=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is LARBIXKNDYMWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-18-11-6-16(7-12-18)14-20-21-19(22)13-8-15-4-9-17(23-2)10-5-15/h4-14H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1280148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).