2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide

C20H24N2O3 — CID 4946012

IUPAC2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-4-11-21-20(24)17-7-5-6-8-18(17)22-19(23)13-25-16-10-9-14(2)15(3)12-16/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMDFQTOABYRYQPB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.46
Rot. Bonds7

About 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 4946012) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID4946012
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-4-11-21-20(24)17-7-5-6-8-18(17)22-19(23)13-25-16-10-9-14(2)15(3)12-16/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMDFQTOABYRYQPB-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 4945967
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781822
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide
CID 100577851
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylbenzoic acid
CID 40910613
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide (CID 4946012) is 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is MDFQTOABYRYQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-11-21-20(24)17-7-5-6-8-18(17)22-19(23)13-25-16-10-9-14(2)15(3)12-16/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide?
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 4946012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).