N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide

C13H18N2O2 — CID 94833649

IUPACN-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
SMILESCCOc1ccccc1/C=N/NC(=O)C(C)C
InChIInChI=1S/C13H18N2O2/c1-4-17-12-8-6-5-7-11(12)9-14-15-13(16)10(2)3/h5-10H,4H2,1-3H3,(H,15,16)/b14-9+
InChIKeyXFZNCRIFOWRYBG-NTEUORMPSA-N
MW234.30 g/mol
LogP2.19
Rot. Bonds5

About N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide

N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide (PubChem CID 94833649) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
PubChem CID94833649
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
SMILESCCOc1ccccc1/C=N/NC(=O)C(C)C
InChIInChI=1S/C13H18N2O2/c1-4-17-12-8-6-5-7-11(12)9-14-15-13(16)10(2)3/h5-10H,4H2,1-3H3,(H,15,16)/b14-9+
InChIKeyXFZNCRIFOWRYBG-NTEUORMPSA-N
XLogP2.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.19
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

2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
N-[(2-ethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5213834
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
N-(2-bromophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 4619867
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide?
The IUPAC name of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide (CID 94833649) is N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide?
The canonical SMILES for N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide is CCOc1ccccc1/C=N/NC(=O)C(C)C.
What is the InChIKey of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide?
The InChIKey is XFZNCRIFOWRYBG-NTEUORMPSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-17-12-8-6-5-7-11(12)9-14-15-13(16)10(2)3/h5-10H,4H2,1-3H3,(H,15,16)/b14-9+.
What are the key properties of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide?
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 94833649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).