N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide

C20H27N3O2 — CID 122572185

IUPACN-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide
SMILESCCOCC1(CNC(=O)c2ccc(-c3cnn(CC)c3)cc2)CCC1
InChIInChI=1S/C20H27N3O2/c1-3-23-13-18(12-22-23)16-6-8-17(9-7-16)19(24)21-14-20(10-5-11-20)15-25-4-2/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,21,24)
InChIKeyUXEKLNLJINORRT-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.51
Rot. Bonds8

About N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide

N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide (PubChem CID 122572185) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide
PubChem CID122572185
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide
SMILESCCOCC1(CNC(=O)c2ccc(-c3cnn(CC)c3)cc2)CCC1
InChIInChI=1S/C20H27N3O2/c1-3-23-13-18(12-22-23)16-6-8-17(9-7-16)19(24)21-14-20(10-5-11-20)15-25-4-2/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,21,24)
InChIKeyUXEKLNLJINORRT-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide?
The IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide (CID 122572185) is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide is CCOCC1(CNC(=O)c2ccc(-c3cnn(CC)c3)cc2)CCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide?
The InChIKey is UXEKLNLJINORRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-23-13-18(12-22-23)16-6-8-17(9-7-16)19(24)21-14-20(10-5-11-20)15-25-4-2/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide?
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 122572185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).