N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide

C14H24N2O3 — CID 3156709

IUPACN'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCC1CCCCC1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C14H24N2O3/c1-10-5-2-3-7-12(10)16-14(18)13(17)15-9-11-6-4-8-19-11/h10-12H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQLPFCVOKIOZXPQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.98
Rot. Bonds3

About N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide

N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 3156709) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID3156709
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCC1CCCCC1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C14H24N2O3/c1-10-5-2-3-7-12(10)16-14(18)13(17)15-9-11-6-4-8-19-11/h10-12H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQLPFCVOKIOZXPQ-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide (CID 3156709) is N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide is CC1CCCCC1NC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is QLPFCVOKIOZXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-5-2-3-7-12(10)16-14(18)13(17)15-9-11-6-4-8-19-11/h10-12H,2-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 268.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylcyclohexyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3156709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).