N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide

C19H21NO2 — CID 54096799

IUPACN-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
SMILESCC=C(C(=O)NC)c1ccccc1COc1ccccc1C
InChIInChI=1S/C19H21NO2/c1-4-16(19(21)20-3)17-11-7-6-10-15(17)13-22-18-12-8-5-9-14(18)2/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyMXRFSRVJYSLCBD-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.72
Rot. Bonds5

About N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide

N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide (PubChem CID 54096799) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
PubChem CID54096799
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
SMILESCC=C(C(=O)NC)c1ccccc1COc1ccccc1C
InChIInChI=1S/C19H21NO2/c1-4-16(19(21)20-3)17-11-7-6-10-15(17)13-22-18-12-8-5-9-14(18)2/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyMXRFSRVJYSLCBD-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide 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

(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl (Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]but-2-enoate
CID 11758709
(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 172989196
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
CID 21264597
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317
2-methoxyimino-N-methyl-2-[2-[2-(2-methylphenoxy)ethyl]phenyl]acetamide
CID 150692604
1H-imidazol-2-yl-[2-[(2-methylphenoxy)methyl]phenyl]methanone
CID 15346105

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide?
The IUPAC name of N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide (CID 54096799) is N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide.
What is the SMILES notation for N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide?
The canonical SMILES for N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide is CC=C(C(=O)NC)c1ccccc1COc1ccccc1C.
What is the InChIKey of N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide?
The InChIKey is MXRFSRVJYSLCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-16(19(21)20-3)17-11-7-6-10-15(17)13-22-18-12-8-5-9-14(18)2/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide?
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide is sourced from PubChem (CID 54096799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).