N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide

C19H21N3O3 — CID 54824363

IUPACN-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H21N3O3/c1-3-12-25-17-7-5-4-6-16(17)21-13-18(23)22-15-10-8-14(9-11-15)19(24)20-2/h3-11,21H,1,12-13H2,2H3,(H,20,24)(H,22,23)
InChIKeyHJZOJPKHOVIFQQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.66
Rot. Bonds8

About N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide

N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (PubChem CID 54824363) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
PubChem CID54824363
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H21N3O3/c1-3-12-25-17-7-5-4-6-16(17)21-13-18(23)22-15-10-8-14(9-11-15)19(24)20-2/h3-11,21H,1,12-13H2,2H3,(H,20,24)(H,22,23)
InChIKeyHJZOJPKHOVIFQQ-UHFFFAOYSA-N
XLogP2.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide 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

4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
N-methyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823920
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696
N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824228
2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54824460
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-ethyl-N-phenyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824329
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54824294
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (CID 54824363) is N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is C=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The InChIKey is HJZOJPKHOVIFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-12-25-17-7-5-4-6-16(17)21-13-18(23)22-15-10-8-14(9-11-15)19(24)20-2/h3-11,21H,1,12-13H2,2H3,(H,20,24)(H,22,23).
What are the key properties of N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54824363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).