N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide

C15H27N3O3 — CID 138602873

IUPACN-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide
SMILESC=C(CC(C)(C)NC(=O)C(=O)N(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-10(11(19)16-14(2,3)4)9-15(5,6)17-12(20)13(21)18(7)8/h1,9H2,2-8H3,(H,16,19)(H,17,20)
InChIKeyJGKVMBYBHGQLFX-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.83
Rot. Bonds4

About N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide

N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide (PubChem CID 138602873) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide
PubChem CID138602873
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide
SMILESC=C(CC(C)(C)NC(=O)C(=O)N(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-10(11(19)16-14(2,3)4)9-15(5,6)17-12(20)13(21)18(7)8/h1,9H2,2-8H3,(H,16,19)(H,17,20)
InChIKeyJGKVMBYBHGQLFX-UHFFFAOYSA-N
XLogP0.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide (CID 138602873) is N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide is C=C(CC(C)(C)NC(=O)C(=O)N(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide?
The InChIKey is JGKVMBYBHGQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(11(19)16-14(2,3)4)9-15(5,6)17-12(20)13(21)18(7)8/h1,9H2,2-8H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide?
N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide has a molecular weight of 297.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide is sourced from PubChem (CID 138602873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).