N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide

C24H29N3O3 — CID 83280002

IUPACN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
SMILESCOc1ccc(-c2noc(CCN(C(=O)CC(C)C)C(C)c3ccccc3)n2)cc1
InChIInChI=1S/C24H29N3O3/c1-17(2)16-23(28)27(18(3)19-8-6-5-7-9-19)15-14-22-25-24(26-30-22)20-10-12-21(29-4)13-11-20/h5-13,17-18H,14-16H2,1-4H3
InChIKeyZZUDZKZQVWNLFD-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.92
Rot. Bonds9

About N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide (PubChem CID 83280002) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
PubChem CID83280002
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
SMILESCOc1ccc(-c2noc(CCN(C(=O)CC(C)C)C(C)c3ccccc3)n2)cc1
InChIInChI=1S/C24H29N3O3/c1-17(2)16-23(28)27(18(3)19-8-6-5-7-9-19)15-14-22-25-24(26-30-22)20-10-12-21(29-4)13-11-20/h5-13,17-18H,14-16H2,1-4H3
InChIKeyZZUDZKZQVWNLFD-UHFFFAOYSA-N
XLogP4.92
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 83281075
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 83281058
N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 98372425
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593250
N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
CID 55881198
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 2990393
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 92687622
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 24688394
3-methyl-N-(2-phenylethyl)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 83280014
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83284747

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide (CID 83280002) is N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide is COc1ccc(-c2noc(CCN(C(=O)CC(C)C)C(C)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide?
The InChIKey is ZZUDZKZQVWNLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(2)16-23(28)27(18(3)19-8-6-5-7-9-19)15-14-22-25-24(26-30-22)20-10-12-21(29-4)13-11-20/h5-13,17-18H,14-16H2,1-4H3.
What are the key properties of N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide?
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide has a molecular weight of 407.51 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 83280002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).