2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide

C18H23N3O2 — CID 167256592

IUPAC2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide
SMILESCCCOc1cc(-c2cccc(C(C)C)c2CC(N)=O)cnn1
InChIInChI=1S/C18H23N3O2/c1-4-8-23-18-9-13(11-20-21-18)15-7-5-6-14(12(2)3)16(15)10-17(19)22/h5-7,9,11-12H,4,8,10H2,1-3H3,(H2,19,22)
InChIKeyIXQJIZSDFMHMEM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.08
Rot. Bonds7

About 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide

2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide (PubChem CID 167256592) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide
PubChem CID167256592
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide
SMILESCCCOc1cc(-c2cccc(C(C)C)c2CC(N)=O)cnn1
InChIInChI=1S/C18H23N3O2/c1-4-8-23-18-9-13(11-20-21-18)15-7-5-6-14(12(2)3)16(15)10-17(19)22/h5-7,9,11-12H,4,8,10H2,1-3H3,(H2,19,22)
InChIKeyIXQJIZSDFMHMEM-UHFFFAOYSA-N
XLogP3.08
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide?
The IUPAC name of 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide (CID 167256592) is 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide is CCCOc1cc(-c2cccc(C(C)C)c2CC(N)=O)cnn1.
What is the InChIKey of 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide?
The InChIKey is IXQJIZSDFMHMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-8-23-18-9-13(11-20-21-18)15-7-5-6-14(12(2)3)16(15)10-17(19)22/h5-7,9,11-12H,4,8,10H2,1-3H3,(H2,19,22).
What are the key properties of 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide?
2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-yl-6-(6-propoxypyridazin-4-yl)phenyl]acetamide is sourced from PubChem (CID 167256592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).