N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide

C14H28N2O2 — CID 91598297

IUPACN'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide
SMILESCCC(C(=O)NNC(=O)CC(C)(C)CC)C(C)C
InChIInChI=1S/C14H28N2O2/c1-7-11(10(3)4)13(18)16-15-12(17)9-14(5,6)8-2/h10-11H,7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyILNIWDGLIQTVHL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.64
Rot. Bonds6

About N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide

N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide (PubChem CID 91598297) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide
PubChem CID91598297
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide
SMILESCCC(C(=O)NNC(=O)CC(C)(C)CC)C(C)C
InChIInChI=1S/C14H28N2O2/c1-7-11(10(3)4)13(18)16-15-12(17)9-14(5,6)8-2/h10-11H,7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyILNIWDGLIQTVHL-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide?
The IUPAC name of N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide (CID 91598297) is N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide.
What is the SMILES notation for N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide?
The canonical SMILES for N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide is CCC(C(=O)NNC(=O)CC(C)(C)CC)C(C)C.
What is the InChIKey of N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide?
The InChIKey is ILNIWDGLIQTVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-11(10(3)4)13(18)16-15-12(17)9-14(5,6)8-2/h10-11H,7-9H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide?
N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide has a molecular weight of 256.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylpentanoyl)-2-ethyl-3-methylbutanehydrazide is sourced from PubChem (CID 91598297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).