(2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide

C15H29NO2 — CID 59060117

IUPAC(2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-8-11(14(16)18)12(9-10(2)3)13(17)15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,18)/t11-,12+/m0/s1
InChIKeyQVHZWGPDZUPERP-NWDGAFQWSA-N
MW255.40 g/mol
LogP3.17
Rot. Bonds7

About (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide

(2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide (PubChem CID 59060117) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide.

Molecular Properties

Compound Name(2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide
PubChem CID59060117
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-8-11(14(16)18)12(9-10(2)3)13(17)15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,18)/t11-,12+/m0/s1
InChIKeyQVHZWGPDZUPERP-NWDGAFQWSA-N
XLogP3.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide?
The IUPAC name of (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide (CID 59060117) is (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide.
What is the SMILES notation for (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide?
The canonical SMILES for (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide is CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)C(C)(C)C.
What is the InChIKey of (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide?
The InChIKey is QVHZWGPDZUPERP-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-8-11(14(16)18)12(9-10(2)3)13(17)15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,18)/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide?
(2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide has a molecular weight of 255.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5,5-dimethyl-3-(2-methylpropyl)-4-oxo-2-propylhexanamide is sourced from PubChem (CID 59060117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).