N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide

C14H26N4O3 — CID 89273252

IUPACN-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide
SMILESC/C(=C\[C@H](C(C)C)N(C)C(=O)CNC=O)C(=O)NN(C)C
InChIInChI=1S/C14H26N4O3/c1-10(2)12(18(6)13(20)8-15-9-19)7-11(3)14(21)16-17(4)5/h7,9-10,12H,8H2,1-6H3,(H,15,19)(H,16,21)/b11-7+/t12-/m1/s1
InChIKeyMXFBBKNXGYIQGH-YTRUQHMWSA-N
MW298.39 g/mol
LogP-0.25
Rot. Bonds8

About N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide

N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide (PubChem CID 89273252) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide.

Molecular Properties

Compound NameN-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide
PubChem CID89273252
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide
SMILESC/C(=C\[C@H](C(C)C)N(C)C(=O)CNC=O)C(=O)NN(C)C
InChIInChI=1S/C14H26N4O3/c1-10(2)12(18(6)13(20)8-15-9-19)7-11(3)14(21)16-17(4)5/h7,9-10,12H,8H2,1-6H3,(H,15,19)(H,16,21)/b11-7+/t12-/m1/s1
InChIKeyMXFBBKNXGYIQGH-YTRUQHMWSA-N
XLogP-0.25
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide?
The IUPAC name of N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide (CID 89273252) is N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide.
What is the SMILES notation for N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide?
The canonical SMILES for N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide is C/C(=C\[C@H](C(C)C)N(C)C(=O)CNC=O)C(=O)NN(C)C.
What is the InChIKey of N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide?
The InChIKey is MXFBBKNXGYIQGH-YTRUQHMWSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-10(2)12(18(6)13(20)8-15-9-19)7-11(3)14(21)16-17(4)5/h7,9-10,12H,8H2,1-6H3,(H,15,19)(H,16,21)/b11-7+/t12-/m1/s1.
What are the key properties of N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide?
N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3S)-6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-6-oxohex-4-en-3-yl]-2-formamido-N-methylacetamide is sourced from PubChem (CID 89273252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).