3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

C20H23N3O4 — CID 54829835

IUPAC3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C20H23N3O4/c21-20(25)14-5-3-6-15(11-14)23-19(24)12-22-17-8-1-2-9-18(17)27-13-16-7-4-10-26-16/h1-3,5-6,8-9,11,16,22H,4,7,10,12-13H2,(H2,21,25)(H,23,24)
InChIKeyZZMMCGGDPXLQGC-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.39
Rot. Bonds8

About 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54829835) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
PubChem CID54829835
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C20H23N3O4/c21-20(25)14-5-3-6-15(11-14)23-19(24)12-22-17-8-1-2-9-18(17)27-13-16-7-4-10-26-16/h1-3,5-6,8-9,11,16,22H,4,7,10,12-13H2,(H2,21,25)(H,23,24)
InChIKeyZZMMCGGDPXLQGC-UHFFFAOYSA-N
XLogP2.39
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]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

3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829445
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829537
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (CID 54829835) is 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is ZZMMCGGDPXLQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c21-20(25)14-5-3-6-15(11-14)23-19(24)12-22-17-8-1-2-9-18(17)27-13-16-7-4-10-26-16/h1-3,5-6,8-9,11,16,22H,4,7,10,12-13H2,(H2,21,25)(H,23,24).
What are the key properties of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54829835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).