3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide

C20H24N2O3 — CID 17231878

IUPAC3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-13-8-6-9-14(2)18(13)25-15(3)19(23)21-17-11-7-10-16(12-17)20(24)22(4)5/h6-12,15H,1-5H3,(H,21,23)
InChIKeyDWWSQCZUXLQZOH-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.41
Rot. Bonds5

About 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide

3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide (PubChem CID 17231878) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
PubChem CID17231878
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-13-8-6-9-14(2)18(13)25-15(3)19(23)21-17-11-7-10-16(12-17)20(24)22(4)5/h6-12,15H,1-5H3,(H,21,23)
InChIKeyDWWSQCZUXLQZOH-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887304
3-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
CID 30378577
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 46517429
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 60587775

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide (CID 17231878) is 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide is Cc1cccc(C)c1OC(C)C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is DWWSQCZUXLQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-8-6-9-14(2)18(13)25-15(3)19(23)21-17-11-7-10-16(12-17)20(24)22(4)5/h6-12,15H,1-5H3,(H,21,23).
What are the key properties of 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide?
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 17231878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).