2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide

C24H43N3O5 — CID 11259543

IUPAC2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
SMILESCCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1cc(CC(C)CCCC(C)(C)OC)on1
InChIInChI=1S/C24H43N3O5/c1-9-11-18(25-22(30)20(28)23(3,4)5)21(29)26-19-15-17(32-27-19)14-16(2)12-10-13-24(6,7)31-8/h15-16,18,20,28H,9-14H2,1-8H3,(H,25,30)(H,26,27,29)
InChIKeyRNFWXMLNAQFXRY-UHFFFAOYSA-N
MW453.62 g/mol
LogP4.08
Rot. Bonds13

About 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide

2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide (PubChem CID 11259543) has the molecular formula C24H43N3O5 and a molecular weight of 453.62 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
PubChem CID11259543
Molecular FormulaC24H43N3O5
Molecular Weight453.62 g/mol
Exact Mass453.32
IUPAC Name2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
SMILESCCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1cc(CC(C)CCCC(C)(C)OC)on1
InChIInChI=1S/C24H43N3O5/c1-9-11-18(25-22(30)20(28)23(3,4)5)21(29)26-19-15-17(32-27-19)14-16(2)12-10-13-24(6,7)31-8/h15-16,18,20,28H,9-14H2,1-8H3,(H,25,30)(H,26,27,29)
InChIKeyRNFWXMLNAQFXRY-UHFFFAOYSA-N
XLogP4.08
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.62
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide (CID 11259543) is 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide is CCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1cc(CC(C)CCCC(C)(C)OC)on1.
What is the InChIKey of 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is RNFWXMLNAQFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O5/c1-9-11-18(25-22(30)20(28)23(3,4)5)21(29)26-19-15-17(32-27-19)14-16(2)12-10-13-24(6,7)31-8/h15-16,18,20,28H,9-14H2,1-8H3,(H,25,30)(H,26,27,29).
What are the key properties of 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 453.62 g/mol, XLogP of 4.08, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[[5-(6-methoxy-2,6-dimethylheptyl)-1,2-oxazol-3-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 11259543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).