N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide

C26H32N4O4 — CID 55801586

IUPACN-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1
InChIInChI=1S/C26H32N4O4/c1-4-33-16-6-15-27-26(32)21-7-5-8-22(17-21)28-23(31)13-14-24-29-25(30-34-24)20-11-9-19(10-12-20)18(2)3/h5,7-12,17-18H,4,6,13-16H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyBRLYLJOPSGPAQB-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.59
Rot. Bonds12

About N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide

N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (PubChem CID 55801586) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
PubChem CID55801586
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1
InChIInChI=1S/C26H32N4O4/c1-4-33-16-6-15-27-26(32)21-7-5-8-22(17-21)28-23(31)13-14-24-29-25(30-34-24)20-11-9-19(10-12-20)18(2)3/h5,7-12,17-18H,4,6,13-16H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyBRLYLJOPSGPAQB-UHFFFAOYSA-N
XLogP4.59
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
CID 55705925
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethoxypropyl)propanamide
CID 100759815
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-(3-ethoxypropyl)benzamide
CID 55801680
N-[3-(1,3-dithian-2-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35828015
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pentanoic acid
CID 119234607
N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18209688

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (CID 55801586) is N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is CCOCCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
The InChIKey is BRLYLJOPSGPAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-4-33-16-6-15-27-26(32)21-7-5-8-22(17-21)28-23(31)13-14-24-29-25(30-34-24)20-11-9-19(10-12-20)18(2)3/h5,7-12,17-18H,4,6,13-16H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?
N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide has a molecular weight of 464.57 g/mol, XLogP of 4.59, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 55801586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).