4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C22H27N3O3 — CID 54818429

IUPAC4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(C)c1NCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H27N3O3/c1-15-5-3-6-16(2)21(15)23-14-20(26)25-18-10-8-17(9-11-18)22(27)24-13-19-7-4-12-28-19/h3,5-6,8-11,19,23H,4,7,12-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyWSIGDCVYOYPGJX-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.26
Rot. Bonds7

About 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54818429) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54818429
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(C)c1NCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H27N3O3/c1-15-5-3-6-16(2)21(15)23-14-20(26)25-18-10-8-17(9-11-18)22(27)24-13-19-7-4-12-28-19/h3,5-6,8-11,19,23H,4,7,12-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyWSIGDCVYOYPGJX-UHFFFAOYSA-N
XLogP3.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811884
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838784
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-[[2-(cyclohexylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54816576
N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54815140
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54818429) is 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is Cc1cccc(C)c1NCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WSIGDCVYOYPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-5-3-6-16(2)21(15)23-14-20(26)25-18-10-8-17(9-11-18)22(27)24-13-19-7-4-12-28-19/h3,5-6,8-11,19,23H,4,7,12-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54818429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).