N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide

C20H30N4O3 — CID 87605883

IUPACN-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)c1nnco1)C(C)C
InChIInChI=1S/C20H30N4O3/c1-12(2)17(21-6)18(26)23-15(19-24-22-11-27-19)10-13-7-8-16(25)14(9-13)20(3,4)5/h7-9,11-12,15,17,21,25H,10H2,1-6H3,(H,23,26)
InChIKeyVXBVFFAQXQWACI-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide

N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide (PubChem CID 87605883) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide
PubChem CID87605883
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)c1nnco1)C(C)C
InChIInChI=1S/C20H30N4O3/c1-12(2)17(21-6)18(26)23-15(19-24-22-11-27-19)10-13-7-8-16(25)14(9-13)20(3,4)5/h7-9,11-12,15,17,21,25H,10H2,1-6H3,(H,23,26)
InChIKeyVXBVFFAQXQWACI-UHFFFAOYSA-N
XLogP2.72
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide (CID 87605883) is N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide is CNC(C(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)c1nnco1)C(C)C.
What is the InChIKey of N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is VXBVFFAQXQWACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-12(2)17(21-6)18(26)23-15(19-24-22-11-27-19)10-13-7-8-16(25)14(9-13)20(3,4)5/h7-9,11-12,15,17,21,25H,10H2,1-6H3,(H,23,26).
What are the key properties of N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide?
N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 374.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butyl-4-hydroxyphenyl)-1-(1,3,4-oxadiazol-2-yl)ethyl]-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 87605883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).