N-prop-2-enyl-2-propoxy-N-propylacetamide

C11H21NO2 — CID 107941762

IUPACN-prop-2-enyl-2-propoxy-N-propylacetamide
SMILESC=CCN(CCC)C(=O)COCCC
InChIInChI=1S/C11H21NO2/c1-4-7-12(8-5-2)11(13)10-14-9-6-3/h4H,1,5-10H2,2-3H3
InChIKeyZWHXSFYIDLWWIE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.84
Rot. Bonds8

About N-prop-2-enyl-2-propoxy-N-propylacetamide

N-prop-2-enyl-2-propoxy-N-propylacetamide (PubChem CID 107941762) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-prop-2-enyl-2-propoxy-N-propylacetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-propoxy-N-propylacetamide
PubChem CID107941762
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-prop-2-enyl-2-propoxy-N-propylacetamide
SMILESC=CCN(CCC)C(=O)COCCC
InChIInChI=1S/C11H21NO2/c1-4-7-12(8-5-2)11(13)10-14-9-6-3/h4H,1,5-10H2,2-3H3
InChIKeyZWHXSFYIDLWWIE-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-prop-2-enyl-2-propoxy-N-propylacetamide?
The IUPAC name of N-prop-2-enyl-2-propoxy-N-propylacetamide (CID 107941762) is N-prop-2-enyl-2-propoxy-N-propylacetamide.
What is the SMILES notation for N-prop-2-enyl-2-propoxy-N-propylacetamide?
The canonical SMILES for N-prop-2-enyl-2-propoxy-N-propylacetamide is C=CCN(CCC)C(=O)COCCC.
What is the InChIKey of N-prop-2-enyl-2-propoxy-N-propylacetamide?
The InChIKey is ZWHXSFYIDLWWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-7-12(8-5-2)11(13)10-14-9-6-3/h4H,1,5-10H2,2-3H3.
What are the key properties of N-prop-2-enyl-2-propoxy-N-propylacetamide?
N-prop-2-enyl-2-propoxy-N-propylacetamide has a molecular weight of 199.29 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-propoxy-N-propylacetamide is sourced from PubChem (CID 107941762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).