N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C15H28N2O2 — CID 108505980

IUPACN-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)10-15(4,5)17-13(19)12(18)16-11-8-6-7-9-11/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyNCPRBVJOVKEXBC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.38
Rot. Bonds3

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

N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108505980) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108505980
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)10-15(4,5)17-13(19)12(18)16-11-8-6-7-9-11/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyNCPRBVJOVKEXBC-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
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-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108505980) is N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide is CC(C)(C)CC(C)(C)NC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is NCPRBVJOVKEXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)10-15(4,5)17-13(19)12(18)16-11-8-6-7-9-11/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 268.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108505980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).