3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide

C22H25N3O2 — CID 55670156

IUPAC3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)CCOc2cccc(C)c2C)n1
InChIInChI=1S/C22H25N3O2/c1-15-8-7-11-21(18(15)4)27-13-12-22(26)23-19-9-5-6-10-20(19)25-17(3)14-16(2)24-25/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyBSLPOBPTQJPACL-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.51
Rot. Bonds6

About 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide

3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide (PubChem CID 55670156) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
PubChem CID55670156
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)CCOc2cccc(C)c2C)n1
InChIInChI=1S/C22H25N3O2/c1-15-8-7-11-21(18(15)4)27-13-12-22(26)23-19-9-5-6-10-20(19)25-17(3)14-16(2)24-25/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyBSLPOBPTQJPACL-UHFFFAOYSA-N
XLogP4.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112816929
3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 38766462
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(prop-2-enoylamino)propanamide
CID 71912633
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
CID 119421764
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 56516138
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119421763
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,3-dimethylphenoxy)propanamide
CID 39821311
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19190902
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide (CID 55670156) is 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide is Cc1cc(C)n(-c2ccccc2NC(=O)CCOc2cccc(C)c2C)n1.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
The InChIKey is BSLPOBPTQJPACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-8-7-11-21(18(15)4)27-13-12-22(26)23-19-9-5-6-10-20(19)25-17(3)14-16(2)24-25/h5-11,14H,12-13H2,1-4H3,(H,23,26).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide?
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55670156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).