3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide

C23H22N2O3 — CID 26164547

IUPAC3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-9-11-21(12-10-16)28-15-22(26)24-20-8-4-6-18(14-20)23(27)25-19-7-3-5-17(2)13-19/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHCKCSYMCRCGUJE-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds6

About 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide

3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 26164547) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID26164547
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-9-11-21(12-10-16)28-15-22(26)24-20-8-4-6-18(14-20)23(27)25-19-7-3-5-17(2)13-19/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHCKCSYMCRCGUJE-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
N,4-dimethyl-N-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 23905666
N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide
CID 9252560
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide (CID 26164547) is 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is HCKCSYMCRCGUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-9-11-21(12-10-16)28-15-22(26)24-20-8-4-6-18(14-20)23(27)25-19-7-3-5-17(2)13-19/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide?
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 26164547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).