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

C19H22N2O3 — CID 4945928

IUPAC2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1
InChIInChI=1S/C19H22N2O3/c1-3-11-20-19(23)16-9-4-5-10-17(16)21-18(22)13-24-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOYJNGKQYPVMBMI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds7

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

2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 4945928) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID4945928
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1
InChIInChI=1S/C19H22N2O3/c1-3-11-20-19(23)16-9-4-5-10-17(16)21-18(22)13-24-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOYJNGKQYPVMBMI-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

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4946012
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586
2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 4945967
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891404
N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide
CID 100577851

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide (CID 4945928) is 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1.
What is the InChIKey of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is OYJNGKQYPVMBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-11-20-19(23)16-9-4-5-10-17(16)21-18(22)13-24-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide?
2-[[2-(3-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 2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 4945928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).