N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

C20H21N3O3 — CID 110422172

IUPACN-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCCOc1ccccc1NC(=O)CC(c1ccccc1)c1nnc(C)o1
InChIInChI=1S/C20H21N3O3/c1-3-25-18-12-8-7-11-17(18)21-19(24)13-16(15-9-5-4-6-10-15)20-23-22-14(2)26-20/h4-12,16H,3,13H2,1-2H3,(H,21,24)
InChIKeySTELFDMRUHQFAP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.94
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110422172) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110422172
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCCOc1ccccc1NC(=O)CC(c1ccccc1)c1nnc(C)o1
InChIInChI=1S/C20H21N3O3/c1-3-25-18-12-8-7-11-17(18)21-19(24)13-16(15-9-5-4-6-10-15)20-23-22-14(2)26-20/h4-12,16H,3,13H2,1-2H3,(H,21,24)
InChIKeySTELFDMRUHQFAP-UHFFFAOYSA-N
XLogP3.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424464
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
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N-(2-ethoxyphenyl)-3-methylbutanamide
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N-(2-ethoxyphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
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N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428980
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
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N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(2-ethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109009181
CID 174193763
CID 174193763
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
CID 110620271

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110422172) is N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is CCOc1ccccc1NC(=O)CC(c1ccccc1)c1nnc(C)o1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is STELFDMRUHQFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-18-12-8-7-11-17(18)21-19(24)13-16(15-9-5-4-6-10-15)20-23-22-14(2)26-20/h4-12,16H,3,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 351.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110422172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).