2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide

C18H25N3O2 — CID 55675906

IUPAC2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H25N3O2/c1-5-11-21-16(9-10-19-21)20-17(22)13-23-15-8-6-7-14(12-15)18(2,3)4/h6-10,12H,5,11,13H2,1-4H3,(H,20,22)
InChIKeyAVXNWZONRSKMPV-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.61
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide

2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 55675906) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID55675906
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H25N3O2/c1-5-11-21-16(9-10-19-21)20-17(22)13-23-15-8-6-7-14(12-15)18(2,3)4/h6-10,12H,5,11,13H2,1-4H3,(H,20,22)
InChIKeyAVXNWZONRSKMPV-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[(2-butylpyrazol-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 52723980
N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991460
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
methyl 2-[3-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]phenoxy]acetate
CID 55875529
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56531740
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-chlorophenoxy)acetamide
CID 42387509
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
CID 36562769
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977644
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide (CID 55675906) is 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)COc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is AVXNWZONRSKMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-11-21-16(9-10-19-21)20-17(22)13-23-15-8-6-7-14(12-15)18(2,3)4/h6-10,12H,5,11,13H2,1-4H3,(H,20,22).
What are the key properties of 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide?
2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 55675906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).