N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide

C15H30N2O2 — CID 108526227

IUPACN'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCCCCN(C)C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-8-9-10-17(7)13(19)12(18)16-15(5,6)11-14(2,3)4/h8-11H2,1-7H3,(H,16,18)
InChIKeyKWRLJWZYIPPRIK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.58
Rot. Bonds5

About N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide

N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526227) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526227
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCCCCN(C)C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-8-9-10-17(7)13(19)12(18)16-15(5,6)11-14(2,3)4/h8-11H2,1-7H3,(H,16,18)
InChIKeyKWRLJWZYIPPRIK-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526227) is N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide is CCCCN(C)C(=O)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is KWRLJWZYIPPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-8-9-10-17(7)13(19)12(18)16-15(5,6)11-14(2,3)4/h8-11H2,1-7H3,(H,16,18).
What are the key properties of N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 270.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).