(4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide

C15H25NO2 — CID 126562552

IUPAC(4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide
SMILESCC(C)C(=O)[C@](C)(C#CC(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)13(18)15(6,14(3,4)5)10-9-12(17)16(7)8/h11H,1-8H3/t15-/m0/s1
InChIKeyQEAXKDPBFVKPIS-HNNXBMFYSA-N
MW251.37 g/mol
LogP2.36
Rot. Bonds2

About (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide

(4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide (PubChem CID 126562552) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide.

Molecular Properties

Compound Name(4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide
PubChem CID126562552
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide
SMILESCC(C)C(=O)[C@](C)(C#CC(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)13(18)15(6,14(3,4)5)10-9-12(17)16(7)8/h11H,1-8H3/t15-/m0/s1
InChIKeyQEAXKDPBFVKPIS-HNNXBMFYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide?
The IUPAC name of (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide (CID 126562552) is (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide.
What is the SMILES notation for (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide?
The canonical SMILES for (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide is CC(C)C(=O)[C@](C)(C#CC(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide?
The InChIKey is QEAXKDPBFVKPIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)13(18)15(6,14(3,4)5)10-9-12(17)16(7)8/h11H,1-8H3/t15-/m0/s1.
What are the key properties of (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide?
(4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide has a molecular weight of 251.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-N,N,4,6-tetramethyl-5-oxohept-2-ynamide is sourced from PubChem (CID 126562552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).