(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide

C14H28N2O2 — CID 58165945

IUPAC(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide
SMILESC[C@@H](CC(=O)N(C)CCN(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(13(18)14(2,3)4)10-12(17)16(7)9-8-15(5)6/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyBUXFWJYXGIOPBO-NSHDSACASA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide

(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide (PubChem CID 58165945) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide.

Molecular Properties

Compound Name(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide
PubChem CID58165945
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide
SMILESC[C@@H](CC(=O)N(C)CCN(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(13(18)14(2,3)4)10-12(17)16(7)9-8-15(5)6/h11H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyBUXFWJYXGIOPBO-NSHDSACASA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide?
The IUPAC name of (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide (CID 58165945) is (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide.
What is the SMILES notation for (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide?
The canonical SMILES for (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide is C[C@@H](CC(=O)N(C)CCN(C)C)C(=O)C(C)(C)C.
What is the InChIKey of (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide?
The InChIKey is BUXFWJYXGIOPBO-NSHDSACASA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(13(18)14(2,3)4)10-12(17)16(7)9-8-15(5)6/h11H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide?
(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide is sourced from PubChem (CID 58165945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).