2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide

C18H20N2O2 — CID 94833652

IUPAC2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESCC(C)C(=O)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14(2)18(21)20-19-12-16-10-6-7-11-17(16)22-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,20,21)/b19-12+
InChIKeyOHZLYIDYDUXGEE-XDHOZWIPSA-N
MW296.37 g/mol
LogP3.37
Rot. Bonds6

About 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide

2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide (PubChem CID 94833652) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
PubChem CID94833652
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESCC(C)C(=O)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14(2)18(21)20-19-12-16-10-6-7-11-17(16)22-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,20,21)/b19-12+
InChIKeyOHZLYIDYDUXGEE-XDHOZWIPSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3978126
4-fluoro-N-[3-methyl-1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 3884318
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6153999
2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide
CID 5168046
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide (CID 94833652) is 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide is CC(C)C(=O)N/N=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide?
The InChIKey is OHZLYIDYDUXGEE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14(2)18(21)20-19-12-16-10-6-7-11-17(16)22-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,20,21)/b19-12+.
What are the key properties of 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide?
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide has a molecular weight of 296.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 94833652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).