2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide

C16H27N3O3S — CID 91309664

IUPAC2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide
SMILESCCC(NC(=O)C(O)C(C)(C)C)C(=O)N(c1nccs1)C(C)C
InChIInChI=1S/C16H27N3O3S/c1-7-11(18-13(21)12(20)16(4,5)6)14(22)19(10(2)3)15-17-8-9-23-15/h8-12,20H,7H2,1-6H3,(H,18,21)
InChIKeyIOGWZIAFARUMID-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.19
Rot. Bonds6

About 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide

2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide (PubChem CID 91309664) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide
PubChem CID91309664
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide
SMILESCCC(NC(=O)C(O)C(C)(C)C)C(=O)N(c1nccs1)C(C)C
InChIInChI=1S/C16H27N3O3S/c1-7-11(18-13(21)12(20)16(4,5)6)14(22)19(10(2)3)15-17-8-9-23-15/h8-12,20H,7H2,1-6H3,(H,18,21)
InChIKeyIOGWZIAFARUMID-UHFFFAOYSA-N
XLogP2.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide?
The IUPAC name of 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide (CID 91309664) is 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide.
What is the SMILES notation for 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide?
The canonical SMILES for 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide is CCC(NC(=O)C(O)C(C)(C)C)C(=O)N(c1nccs1)C(C)C.
What is the InChIKey of 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide?
The InChIKey is IOGWZIAFARUMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-7-11(18-13(21)12(20)16(4,5)6)14(22)19(10(2)3)15-17-8-9-23-15/h8-12,20H,7H2,1-6H3,(H,18,21).
What are the key properties of 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide?
2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide has a molecular weight of 341.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]butan-2-yl]butanamide is sourced from PubChem (CID 91309664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).