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'}

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Related Compounds

N-tert-butyl-4-methyl-2-methylidenepentanamide
CID 135061980
2-(iodomethyl)-N,N-dimethylprop-2-enamide
CID 11843066
N,N'-ditert-butyl-N'-dimethylboranyloxamide
CID 134920383
2-(tert-butylamino)-2-oxoacetic acid
CID 5187990
N,N,4,4-tetramethyl-2-oxopentanamide
CID 158996927
N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526209
2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103260235
N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
CID 90878864
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526227
N-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 155425429
azane;N,N,2-trimethylprop-2-enamide
CID 162327856

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).