N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

C20H24N2O3 — CID 46761130

IUPACN-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)COc2cccc(C)c2C)ccc1C
InChIInChI=1S/C20H24N2O3/c1-5-19(23)22-17-11-16(10-9-14(17)3)21-20(24)12-25-18-8-6-7-13(2)15(18)4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyRAYWNDQDWIJCMH-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.98
Rot. Bonds6

About N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 46761130) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID46761130
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)COc2cccc(C)c2C)ccc1C
InChIInChI=1S/C20H24N2O3/c1-5-19(23)22-17-11-16(10-9-14(17)3)21-20(24)12-25-18-8-6-7-13(2)15(18)4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyRAYWNDQDWIJCMH-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487441
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761066
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxybenzoic acid
CID 28675962
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (CID 46761130) is N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NC(=O)COc2cccc(C)c2C)ccc1C.
What is the InChIKey of N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is RAYWNDQDWIJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-19(23)22-17-11-16(10-9-14(17)3)21-20(24)12-25-18-8-6-7-13(2)15(18)4/h6-11H,5,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 46761130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).