N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide

C19H19N3O4 — CID 134039189

IUPACN,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H19N3O4/c1-21(2)18(24)14-9-7-13(8-10-14)11-20-17(23)12-22-15-5-3-4-6-16(15)26-19(22)25/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQMRWWPQZTGHDOD-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.61
Rot. Bonds5

About N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide

N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 134039189) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
PubChem CID134039189
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H19N3O4/c1-21(2)18(24)14-9-7-13(8-10-14)11-20-17(23)12-22-15-5-3-4-6-16(15)26-19(22)25/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQMRWWPQZTGHDOD-UHFFFAOYSA-N
XLogP1.61
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]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

N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 131927904
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748229
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 38972126
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide (CID 134039189) is N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide is CN(C)C(=O)c1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide?
The InChIKey is QMRWWPQZTGHDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-21(2)18(24)14-9-7-13(8-10-14)11-20-17(23)12-22-15-5-3-4-6-16(15)26-19(22)25/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide?
N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 134039189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).