2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

C19H25N3O4 — CID 4787798

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C19H25N3O4/c1-13-10-14(2)22(21-13)9-5-8-20-19(24)12-26-17-7-6-16(15(3)23)11-18(17)25-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,20,24)
InChIKeyLTIMNWSYHXMECC-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.30
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 4787798) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
PubChem CID4787798
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C19H25N3O4/c1-13-10-14(2)22(21-13)9-5-8-20-19(24)12-26-17-7-6-16(15(3)23)11-18(17)25-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,20,24)
InChIKeyLTIMNWSYHXMECC-UHFFFAOYSA-N
XLogP2.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (CID 4787798) is 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCCCn1nc(C)cc1C.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is LTIMNWSYHXMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-10-14(2)22(21-13)9-5-8-20-19(24)12-26-17-7-6-16(15(3)23)11-18(17)25-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,20,24).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 4787798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).