N'-butyl-N-prop-2-enyl-N'-propyloxamide

C12H22N2O2 — CID 108521545

IUPACN'-butyl-N-prop-2-enyl-N'-propyloxamide
SMILESC=CCNC(=O)C(=O)N(CCC)CCCC
InChIInChI=1S/C12H22N2O2/c1-4-7-10-14(9-6-3)12(16)11(15)13-8-5-2/h5H,2,4,6-10H2,1,3H3,(H,13,15)
InChIKeySFMVHWAGMOAYKE-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.33
Rot. Bonds7

About N'-butyl-N-prop-2-enyl-N'-propyloxamide

N'-butyl-N-prop-2-enyl-N'-propyloxamide (PubChem CID 108521545) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-butyl-N-prop-2-enyl-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-prop-2-enyl-N'-propyloxamide
PubChem CID108521545
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN'-butyl-N-prop-2-enyl-N'-propyloxamide
SMILESC=CCNC(=O)C(=O)N(CCC)CCCC
InChIInChI=1S/C12H22N2O2/c1-4-7-10-14(9-6-3)12(16)11(15)13-8-5-2/h5H,2,4,6-10H2,1,3H3,(H,13,15)
InChIKeySFMVHWAGMOAYKE-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-prop-2-enyl-N'-propyloxamide?
The IUPAC name of N'-butyl-N-prop-2-enyl-N'-propyloxamide (CID 108521545) is N'-butyl-N-prop-2-enyl-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-prop-2-enyl-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-prop-2-enyl-N'-propyloxamide is C=CCNC(=O)C(=O)N(CCC)CCCC.
What is the InChIKey of N'-butyl-N-prop-2-enyl-N'-propyloxamide?
The InChIKey is SFMVHWAGMOAYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-7-10-14(9-6-3)12(16)11(15)13-8-5-2/h5H,2,4,6-10H2,1,3H3,(H,13,15).
What are the key properties of N'-butyl-N-prop-2-enyl-N'-propyloxamide?
N'-butyl-N-prop-2-enyl-N'-propyloxamide has a molecular weight of 226.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-prop-2-enyl-N'-propyloxamide is sourced from PubChem (CID 108521545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).