N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide

C26H33N3O3 — CID 55502855

IUPACN-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc(Cn3cccn3)cc2)cc1OCC
InChIInChI=1S/C26H33N3O3/c1-4-15-28(19-22-10-13-24(32-17-5-2)25(18-22)31-6-3)26(30)23-11-8-21(9-12-23)20-29-16-7-14-27-29/h7-14,16,18H,4-6,15,17,19-20H2,1-3H3
InChIKeyYBNOYBQAORWLGD-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.17
Rot. Bonds12

About N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide

N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 55502855) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID55502855
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc(Cn3cccn3)cc2)cc1OCC
InChIInChI=1S/C26H33N3O3/c1-4-15-28(19-22-10-13-24(32-17-5-2)25(18-22)31-6-3)26(30)23-11-8-21(9-12-23)20-29-16-7-14-27-29/h7-14,16,18H,4-6,15,17,19-20H2,1-3H3
InChIKeyYBNOYBQAORWLGD-UHFFFAOYSA-N
XLogP5.17
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55876241
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide
CID 55876114
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
CID 55686789
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
N-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
CID 55332708
N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55897549
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55333044
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide (CID 55502855) is N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide is CCCOc1ccc(CN(CCC)C(=O)c2ccc(Cn3cccn3)cc2)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is YBNOYBQAORWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-4-15-28(19-22-10-13-24(32-17-5-2)25(18-22)31-6-3)26(30)23-11-8-21(9-12-23)20-29-16-7-14-27-29/h7-14,16,18H,4-6,15,17,19-20H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 435.57 g/mol, XLogP of 5.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).