N-(3-methylbutyl)-N'-prop-2-enyloxamide

C10H18N2O2 — CID 21369924

IUPACN-(3-methylbutyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C10H18N2O2/c1-4-6-11-9(13)10(14)12-7-5-8(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)(H,12,14)
InChIKeyYOSNUQBXEBDQTR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.45
Rot. Bonds5

About N-(3-methylbutyl)-N'-prop-2-enyloxamide

N-(3-methylbutyl)-N'-prop-2-enyloxamide (PubChem CID 21369924) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-methylbutyl)-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N'-prop-2-enyloxamide
PubChem CID21369924
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3-methylbutyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C10H18N2O2/c1-4-6-11-9(13)10(14)12-7-5-8(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)(H,12,14)
InChIKeyYOSNUQBXEBDQTR-UHFFFAOYSA-N
XLogP0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.45
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-(3-methylbutyl)-N'-prop-2-enyloxamide?
The IUPAC name of N-(3-methylbutyl)-N'-prop-2-enyloxamide (CID 21369924) is N-(3-methylbutyl)-N'-prop-2-enyloxamide.
What is the SMILES notation for N-(3-methylbutyl)-N'-prop-2-enyloxamide?
The canonical SMILES for N-(3-methylbutyl)-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N'-prop-2-enyloxamide?
The InChIKey is YOSNUQBXEBDQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-11-9(13)10(14)12-7-5-8(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)(H,12,14).
What are the key properties of N-(3-methylbutyl)-N'-prop-2-enyloxamide?
N-(3-methylbutyl)-N'-prop-2-enyloxamide has a molecular weight of 198.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N'-prop-2-enyloxamide is sourced from PubChem (CID 21369924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).