3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide

C19H22N2O3 — CID 17222626

IUPAC3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C19H22N2O3/c1-3-11-20-19(23)15-8-6-9-16(12-15)21-18(22)13-24-17-10-5-4-7-14(17)2/h4-10,12H,3,11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVAULFQFGUWYJHF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds7

About 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide

3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17222626) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17222626
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C19H22N2O3/c1-3-11-20-19(23)15-8-6-9-16(12-15)21-18(22)13-24-17-10-5-4-7-14(17)2/h4-10,12H,3,11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVAULFQFGUWYJHF-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335752
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108541135
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide (CID 17222626) is 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)COc2ccccc2C)c1.
What is the InChIKey of 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is VAULFQFGUWYJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-11-20-19(23)15-8-6-9-16(12-15)21-18(22)13-24-17-10-5-4-7-14(17)2/h4-10,12H,3,11,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide?
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17222626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).