N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide

C12H24N2O — CID 58808299

IUPACN-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide
SMILESCC(=O)N/N=C/C(CC(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)7-11(12(4,5)6)8-13-14-10(3)15/h8-9,11H,7H2,1-6H3,(H,14,15)/b13-8+
InChIKeyAPTBESIJVJUVGK-MDWZMJQESA-N
MW212.34 g/mol
LogP2.82
Rot. Bonds4

About N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide

N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide (PubChem CID 58808299) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide
PubChem CID58808299
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide
SMILESCC(=O)N/N=C/C(CC(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)7-11(12(4,5)6)8-13-14-10(3)15/h8-9,11H,7H2,1-6H3,(H,14,15)/b13-8+
InChIKeyAPTBESIJVJUVGK-MDWZMJQESA-N
XLogP2.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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)-(2-tert-butyl-4-methylpentylidene)amino]acetamide?
The IUPAC name of N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide (CID 58808299) is N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide.
What is the SMILES notation for N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide?
The canonical SMILES for N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide is CC(=O)N/N=C/C(CC(C)C)C(C)(C)C.
What is the InChIKey of N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide?
The InChIKey is APTBESIJVJUVGK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)7-11(12(4,5)6)8-13-14-10(3)15/h8-9,11H,7H2,1-6H3,(H,14,15)/b13-8+.
What are the key properties of N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide?
N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide has a molecular weight of 212.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-tert-butyl-4-methylpentylidene)amino]acetamide is sourced from PubChem (CID 58808299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).