N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide

C13H18N2O3 — CID 94833653

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)C)c(OC)c1
InChIInChI=1S/C13H18N2O3/c1-9(2)13(16)15-14-8-10-5-6-11(17-3)7-12(10)18-4/h5-9H,1-4H3,(H,15,16)/b14-8+
InChIKeyXEXFWGKBPZZCMC-RIYZIHGNSA-N
MW250.30 g/mol
LogP1.81
Rot. Bonds5

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide (PubChem CID 94833653) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
PubChem CID94833653
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)C)c(OC)c1
InChIInChI=1S/C13H18N2O3/c1-9(2)13(16)15-14-8-10-5-6-11(17-3)7-12(10)18-4/h5-9H,1-4H3,(H,15,16)/b14-8+
InChIKeyXEXFWGKBPZZCMC-RIYZIHGNSA-N
XLogP1.81
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.81
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'}

Analyze N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658901
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
4-bromo-N-[1-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 71833539
(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 165344462
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
CID 43887205
(2S)-2-(4-bromoanilino)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]butanamide
CID 6989360
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide (CID 94833653) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide is COc1ccc(/C=N/NC(=O)C(C)C)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide?
The InChIKey is XEXFWGKBPZZCMC-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)13(16)15-14-8-10-5-6-11(17-3)7-12(10)18-4/h5-9H,1-4H3,(H,15,16)/b14-8+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide has a molecular weight of 250.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 94833653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).