3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide

C23H27N3O2 — CID 19327775

IUPAC3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)NCCCn3nccc3C)c2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-19-8-10-22(11-9-19)28-17-20-6-4-7-21(16-20)23(27)24-13-5-15-26-18(2)12-14-25-26/h4,6-12,14,16H,3,5,13,15,17H2,1-2H3,(H,24,27)
InChIKeyASYQCFDEPTWKJU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.15
Rot. Bonds9

About 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide

3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19327775) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19327775
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)NCCCn3nccc3C)c2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-19-8-10-22(11-9-19)28-17-20-6-4-7-21(16-20)23(27)24-13-5-15-26-18(2)12-14-25-26/h4,6-12,14,16H,3,5,13,15,17H2,1-2H3,(H,24,27)
InChIKeyASYQCFDEPTWKJU-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327758
3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327741
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401679
N-[(2-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19294521
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-[(3-bromophenoxy)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19295448
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide (CID 19327775) is 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide is CCc1ccc(OCc2cccc(C(=O)NCCCn3nccc3C)c2)cc1.
What is the InChIKey of 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is ASYQCFDEPTWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-19-8-10-22(11-9-19)28-17-20-6-4-7-21(16-20)23(27)24-13-5-15-26-18(2)12-14-25-26/h4,6-12,14,16H,3,5,13,15,17H2,1-2H3,(H,24,27).
What are the key properties of 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19327775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).