2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide

C11H22N2O2 — CID 62341858

IUPAC2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COCCCNC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-6-13-11(14)9-15-8-5-7-12-10(2)3/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyWIUDSFZZDMNPPS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.69
Rot. Bonds9

About 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide

2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide (PubChem CID 62341858) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide
PubChem CID62341858
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COCCCNC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-6-13-11(14)9-15-8-5-7-12-10(2)3/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyWIUDSFZZDMNPPS-UHFFFAOYSA-N
XLogP0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide (CID 62341858) is 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COCCCNC(C)C.
What is the InChIKey of 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide?
The InChIKey is WIUDSFZZDMNPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-6-13-11(14)9-15-8-5-7-12-10(2)3/h4,10,12H,1,5-9H2,2-3H3,(H,13,14).
What are the key properties of 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide?
2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide has a molecular weight of 214.31 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)propoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 62341858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).