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

C11H20N2O3 — CID 3499284

IUPACN-butyl-N'-(oxolan-2-ylmethyl)oxamide
SMILESCCCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O3/c1-2-3-6-12-10(14)11(15)13-8-9-5-4-7-16-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyOPLFTYLDAYZPMT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.20
Rot. Bonds5

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

N-butyl-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3499284) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-butyl-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3499284
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-butyl-N'-(oxolan-2-ylmethyl)oxamide
SMILESCCCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20N2O3/c1-2-3-6-12-10(14)11(15)13-8-9-5-4-7-16-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyOPLFTYLDAYZPMT-UHFFFAOYSA-N
XLogP0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-butyl-N'-(oxolan-2-ylmethyl)oxamide (CID 3499284) is N-butyl-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-butyl-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-butyl-N'-(oxolan-2-ylmethyl)oxamide is CCCCNC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N-butyl-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is OPLFTYLDAYZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-6-12-10(14)11(15)13-8-9-5-4-7-16-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-butyl-N'-(oxolan-2-ylmethyl)oxamide?
N-butyl-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 228.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3499284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).