3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

C14H18N4O2 — CID 62838743

IUPAC3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H18N4O2/c1-3-15-8-10(2)13(19)17-12-6-4-5-11(7-12)14-18-16-9-20-14/h4-7,9-10,15H,3,8H2,1-2H3,(H,17,19)
InChIKeyMHYLLHSUDPLVBX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.92
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 62838743) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID62838743
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C14H18N4O2/c1-3-15-8-10(2)13(19)17-12-6-4-5-11(7-12)14-18-16-9-20-14/h4-7,9-10,15H,3,8H2,1-2H3,(H,17,19)
InChIKeyMHYLLHSUDPLVBX-UHFFFAOYSA-N
XLogP1.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47049920
N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206470
3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62852213
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 62838743) is 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is CCNCC(C)C(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is MHYLLHSUDPLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-15-8-10(2)13(19)17-12-6-4-5-11(7-12)14-18-16-9-20-14/h4-7,9-10,15H,3,8H2,1-2H3,(H,17,19).
What are the key properties of 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 62838743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).