N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C21H26N2O3 — CID 19189761

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-25-18-8-6-17(7-9-18)13-22-23-21(24)14-26-19-10-11-20(15(2)3)16(4)12-19/h6-13,15H,5,14H2,1-4H3,(H,23,24)/b22-13+
InChIKeyZVLTWUJNRUPOLQ-LPYMAVHISA-N
MW354.45 g/mol
LogP4.05
Rot. Bonds8

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 19189761) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID19189761
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-25-18-8-6-17(7-9-18)13-22-23-21(24)14-26-19-10-11-20(15(2)3)16(4)12-19/h6-13,15H,5,14H2,1-4H3,(H,23,24)/b22-13+
InChIKeyZVLTWUJNRUPOLQ-LPYMAVHISA-N
XLogP4.05
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189755
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 6308469
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 19190208
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19190055
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 19189761) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is ZVLTWUJNRUPOLQ-LPYMAVHISA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-25-18-8-6-17(7-9-18)13-22-23-21(24)14-26-19-10-11-20(15(2)3)16(4)12-19/h6-13,15H,5,14H2,1-4H3,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19189761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).