N'-(2-methylpropyl)-N-prop-2-enyloxamide

C9H16N2O2 — CID 21212901

IUPACN'-(2-methylpropyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-10-8(12)9(13)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyNRYPTAPIMHLVEF-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.06
Rot. Bonds4

About N'-(2-methylpropyl)-N-prop-2-enyloxamide

N'-(2-methylpropyl)-N-prop-2-enyloxamide (PubChem CID 21212901) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-prop-2-enyloxamide
PubChem CID21212901
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN'-(2-methylpropyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-10-8(12)9(13)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyNRYPTAPIMHLVEF-UHFFFAOYSA-N
XLogP0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
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'-(2-methylpropyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(2-methylpropyl)-N-prop-2-enyloxamide (CID 21212901) is N'-(2-methylpropyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(2-methylpropyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(2-methylpropyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC(C)C.
What is the InChIKey of N'-(2-methylpropyl)-N-prop-2-enyloxamide?
The InChIKey is NRYPTAPIMHLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-10-8(12)9(13)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13).
What are the key properties of N'-(2-methylpropyl)-N-prop-2-enyloxamide?
N'-(2-methylpropyl)-N-prop-2-enyloxamide has a molecular weight of 184.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 21212901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).