N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H27N3O — CID 42959715

IUPACN-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C19H27N3O/c1-13(2)18(16-9-7-6-8-10-16)12-20-19(23)11-17-14(3)21-22(5)15(17)4/h6-10,13,18H,11-12H2,1-5H3,(H,20,23)
InChIKeyOILMDXRDMFKYIB-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.14
Rot. Bonds6

About N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 42959715) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID42959715
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C19H27N3O/c1-13(2)18(16-9-7-6-8-10-16)12-20-19(23)11-17-14(3)21-22(5)15(17)4/h6-10,13,18H,11-12H2,1-5H3,(H,20,23)
InChIKeyOILMDXRDMFKYIB-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 42959715) is N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC(c1ccccc1)C(C)C.
What is the InChIKey of N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is OILMDXRDMFKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)18(16-9-7-6-8-10-16)12-20-19(23)11-17-14(3)21-22(5)15(17)4/h6-10,13,18H,11-12H2,1-5H3,(H,20,23).
What are the key properties of N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 313.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 42959715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).