N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide

C18H30N2O2S — CID 58416852

IUPACN,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide
SMILESCC(C)C(=O)C(CC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C
InChIInChI=1S/C18H30N2O2S/c1-11(2)15(17(22)12(3)4)8-16(21)20(7)10-14-9-19-18(23-14)13(5)6/h9,11-13,15H,8,10H2,1-7H3
InChIKeyZDKUSDREHVNFND-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.11
Rot. Bonds8

About N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide

N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide (PubChem CID 58416852) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide.

Molecular Properties

Compound NameN,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide
PubChem CID58416852
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide
SMILESCC(C)C(=O)C(CC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C
InChIInChI=1S/C18H30N2O2S/c1-11(2)15(17(22)12(3)4)8-16(21)20(7)10-14-9-19-18(23-14)13(5)6/h9,11-13,15H,8,10H2,1-7H3
InChIKeyZDKUSDREHVNFND-UHFFFAOYSA-N
XLogP4.11
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide?
The IUPAC name of N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide (CID 58416852) is N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide.
What is the SMILES notation for N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide?
The canonical SMILES for N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide is CC(C)C(=O)C(CC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C.
What is the InChIKey of N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide?
The InChIKey is ZDKUSDREHVNFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-11(2)15(17(22)12(3)4)8-16(21)20(7)10-14-9-19-18(23-14)13(5)6/h9,11-13,15H,8,10H2,1-7H3.
What are the key properties of N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide?
N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide has a molecular weight of 338.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide is sourced from PubChem (CID 58416852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).