ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate

C18H19NO3 — CID 767234

IUPACethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-21-17-11-5-14(6-12-17)13-19-16-9-7-15(8-10-16)18(20)22-4-2/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyKHOXQZUPVCAJFD-CPNJWEJPSA-N
MW297.35 g/mol
LogP4.01
Rot. Bonds6

About ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate

ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate (PubChem CID 767234) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
PubChem CID767234
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-21-17-11-5-14(6-12-17)13-19-16-9-7-15(8-10-16)18(20)22-4-2/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyKHOXQZUPVCAJFD-CPNJWEJPSA-N
XLogP4.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzoate
CID 94832120
3-[4-[(4-propoxyphenyl)methylideneamino]benzoyl]oxypropyl 4-[(4-propoxyphenyl)methylideneamino]benzoate
CID 102594777
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
ethyl 4-[(3,4-dihydroxyphenyl)methylideneamino]benzoate
CID 3416784
(3-chlorophenyl) 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 101042830
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
2-(2-ethoxyethoxy)ethyl 4-[(4-octoxyphenyl)iminomethyl]benzoate
CID 101349511
ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate
CID 94832125
propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
CID 4504442
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
CID 835020
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
methyl 4-[(4-dodecoxyphenyl)methylideneamino]benzoate
CID 102441391

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate?
The IUPAC name of ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate (CID 767234) is ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate?
The canonical SMILES for ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate is CCOC(=O)c1ccc(/N=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate?
The InChIKey is KHOXQZUPVCAJFD-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-21-17-11-5-14(6-12-17)13-19-16-9-7-15(8-10-16)18(20)22-4-2/h5-13H,3-4H2,1-2H3/b19-13+.
What are the key properties of ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate?
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate has a molecular weight of 297.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 767234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).