3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide

C20H24N2O3 — CID 87001573

IUPAC3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C20H24N2O3/c1-5-21-20(24)16-9-8-14(3)17(11-16)22-19(23)12-25-18-10-13(2)6-7-15(18)4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyJZEHUVJTYSXJPC-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.38
Rot. Bonds6

About 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide (PubChem CID 87001573) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
PubChem CID87001573
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C20H24N2O3/c1-5-21-20(24)16-9-8-14(3)17(11-16)22-19(23)12-25-18-10-13(2)6-7-15(18)4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyJZEHUVJTYSXJPC-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-methoxy-4-methylbenzamide
CID 136533897
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380
2-amino-N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192494
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 54793163
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214279

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide (CID 87001573) is 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide?
The InChIKey is JZEHUVJTYSXJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-21-20(24)16-9-8-14(3)17(11-16)22-19(23)12-25-18-10-13(2)6-7-15(18)4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide?
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 87001573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).