N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide

C26H33N3O4 — CID 55413074

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
SMILESCCCOc1ccc(CN(CCC)C(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1OC
InChIInChI=1S/C26H33N3O4/c1-5-15-29(18-20-9-12-22(32-16-6-2)23(17-20)31-4)25(30)14-13-24-27-28-26(33-24)21-10-7-19(3)8-11-21/h7-12,17H,5-6,13-16,18H2,1-4H3
InChIKeyZJMMUSFVXBJWEY-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.21
Rot. Bonds12

About N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide (PubChem CID 55413074) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
PubChem CID55413074
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
SMILESCCCOc1ccc(CN(CCC)C(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1OC
InChIInChI=1S/C26H33N3O4/c1-5-15-29(18-20-9-12-22(32-16-6-2)23(17-20)31-4)25(30)14-13-24-27-28-26(33-24)21-10-7-19(3)8-11-21/h7-12,17H,5-6,13-16,18H2,1-4H3
InChIKeyZJMMUSFVXBJWEY-UHFFFAOYSA-N
XLogP5.21
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55550163
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18115741
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55398479
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55594478

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide (CID 55413074) is N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide is CCCOc1ccc(CN(CCC)C(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide?
The InChIKey is ZJMMUSFVXBJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-5-15-29(18-20-9-12-22(32-16-6-2)23(17-20)31-4)25(30)14-13-24-27-28-26(33-24)21-10-7-19(3)8-11-21/h7-12,17H,5-6,13-16,18H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide has a molecular weight of 451.57 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide is sourced from PubChem (CID 55413074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).