4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide

C19H22N2O3 — CID 108766269

IUPAC4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide
SMILESCc1ccc(C)c(OCC(=O)NCc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-4-5-13(2)18(14(12)3)24-11-17(22)21-10-15-6-8-16(9-7-15)19(20)23/h4-9H,10-11H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeySNZQCLDQFNTTOH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds6

About 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide

4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide (PubChem CID 108766269) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide
PubChem CID108766269
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide
SMILESCc1ccc(C)c(OCC(=O)NCc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-4-5-13(2)18(14(12)3)24-11-17(22)21-10-15-6-8-16(9-7-15)19(20)23/h4-9H,10-11H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeySNZQCLDQFNTTOH-UHFFFAOYSA-N
XLogP2.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
2-cyano-N-[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]propyl]acetamide
CID 108924299
2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
CID 62018130
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
2-(2-methoxyphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101132
tert-butyl N-[2-oxo-2-[3-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]anilino]ethyl]carbamate
CID 108918405
ethyl [4-[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932308

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide (CID 108766269) is 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide is Cc1ccc(C)c(OCC(=O)NCc2ccc(C(N)=O)cc2)c1C.
What is the InChIKey of 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide?
The InChIKey is SNZQCLDQFNTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-4-5-13(2)18(14(12)3)24-11-17(22)21-10-15-6-8-16(9-7-15)19(20)23/h4-9H,10-11H2,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide?
4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 108766269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).