N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide

C20H22N2O3 — CID 137173872

IUPACN-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
SMILESC=CCc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OCC)c1O
InChIInChI=1S/C20H22N2O3/c1-4-6-16-11-15(12-19(20(16)24)25-5-2)13-21-17-7-9-18(10-8-17)22-14(3)23/h4,7-13,24H,1,5-6H2,2-3H3,(H,22,23)/b21-13+
InChIKeyKLLGRIQLLMHKFV-FYJGNVAPSA-N
MW338.41 g/mol
LogP4.23
Rot. Bonds7

About N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide

N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide (PubChem CID 137173872) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
PubChem CID137173872
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide
SMILESC=CCc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OCC)c1O
InChIInChI=1S/C20H22N2O3/c1-4-6-16-11-15(12-19(20(16)24)25-5-2)13-21-17-7-9-18(10-8-17)22-14(3)23/h4,7-13,24H,1,5-6H2,2-3H3,(H,22,23)/b21-13+
InChIKeyKLLGRIQLLMHKFV-FYJGNVAPSA-N
XLogP4.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3994693
4-[(4-cyclohexylphenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137101752
2-ethoxy-4-[(3-methoxyphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137101758
2-ethoxy-4-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]-6-prop-2-enylphenol
CID 137118455
N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
CID 833853
2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 50887207
1-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3885276
4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137173615
2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162393
N-(4-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]propanediamide
CID 135607551
N-butyl-N'-[(E)-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]oxamide
CID 135840035

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide (CID 137173872) is N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide is C=CCc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OCC)c1O.
What is the InChIKey of N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide?
The InChIKey is KLLGRIQLLMHKFV-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-6-16-11-15(12-19(20(16)24)25-5-2)13-21-17-7-9-18(10-8-17)22-14(3)23/h4,7-13,24H,1,5-6H2,2-3H3,(H,22,23)/b21-13+.
What are the key properties of N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide?
N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 137173872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).