3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide

C22H26N2O4 — CID 86835564

IUPAC3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccccc2OCC2CCCCO2)ccc1C
InChIInChI=1S/C22H26N2O4/c1-15-10-11-17(13-20(15)23-16(2)25)22(26)24-19-8-3-4-9-21(19)28-14-18-7-5-6-12-27-18/h3-4,8-11,13,18H,5-7,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySLTLKJGEWYYTGG-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.15
Rot. Bonds6

About 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide

3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide (PubChem CID 86835564) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
PubChem CID86835564
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccccc2OCC2CCCCO2)ccc1C
InChIInChI=1S/C22H26N2O4/c1-15-10-11-17(13-20(15)23-16(2)25)22(26)24-19-8-3-4-9-21(19)28-14-18-7-5-6-12-27-18/h3-4,8-11,13,18H,5-7,12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySLTLKJGEWYYTGG-UHFFFAOYSA-N
XLogP4.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]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-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
3-acetamido-N-[N-(2-methoxyphenyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidoyl]-4-methylbenzamide
CID 94089964
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide (CID 86835564) is 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide is CC(=O)Nc1cc(C(=O)Nc2ccccc2OCC2CCCCO2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is SLTLKJGEWYYTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-10-11-17(13-20(15)23-16(2)25)22(26)24-19-8-3-4-9-21(19)28-14-18-7-5-6-12-27-18/h3-4,8-11,13,18H,5-7,12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide?
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 86835564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).