N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide

C18H20N2O2 — CID 835020

IUPACN-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
SMILESCCOc1ccc(/C=N/c2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-18(21)20-16-9-7-15(8-10-16)19-13-14-5-11-17(12-6-14)22-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)/b19-13+
InChIKeyKMGDKGFFGGQJFG-CPNJWEJPSA-N
MW296.37 g/mol
LogP4.18
Rot. Bonds6

About N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide

N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide (PubChem CID 835020) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
PubChem CID835020
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
SMILESCCOc1ccc(/C=N/c2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-18(21)20-16-9-7-15(8-10-16)19-13-14-5-11-17(12-6-14)22-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)/b19-13+
InChIKeyKMGDKGFFGGQJFG-CPNJWEJPSA-N
XLogP4.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
CID 126209667

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide (CID 835020) is N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide is CCOc1ccc(/C=N/c2ccc(NC(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide?
The InChIKey is KMGDKGFFGGQJFG-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-18(21)20-16-9-7-15(8-10-16)19-13-14-5-11-17(12-6-14)22-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide?
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide is sourced from PubChem (CID 835020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).