N'-cyclopentyl-N-(3-methylbutyl)oxamide

C12H22N2O2 — CID 2291046

IUPACN'-cyclopentyl-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c1-9(2)7-8-13-11(15)12(16)14-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyABUWGACUZGLSNK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.21
Rot. Bonds4

About N'-cyclopentyl-N-(3-methylbutyl)oxamide

N'-cyclopentyl-N-(3-methylbutyl)oxamide (PubChem CID 2291046) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-cyclopentyl-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(3-methylbutyl)oxamide
PubChem CID2291046
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN'-cyclopentyl-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c1-9(2)7-8-13-11(15)12(16)14-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyABUWGACUZGLSNK-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.21
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-(3-methylbutyl)oxamide?
The IUPAC name of N'-cyclopentyl-N-(3-methylbutyl)oxamide (CID 2291046) is N'-cyclopentyl-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-cyclopentyl-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(3-methylbutyl)oxamide?
The InChIKey is ABUWGACUZGLSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)7-8-13-11(15)12(16)14-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-cyclopentyl-N-(3-methylbutyl)oxamide?
N'-cyclopentyl-N-(3-methylbutyl)oxamide has a molecular weight of 226.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 2291046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).