N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide

C9H17NO3 — CID 45120254

IUPACN-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC(OC)OC)C(C)=O
InChIInChI=1S/C9H17NO3/c1-5-6-10(8(2)11)7-9(12-3)13-4/h5,9H,1,6-7H2,2-4H3
InChIKeyHOPUDKXPBNYPTM-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.64
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide

N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide (PubChem CID 45120254) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide
PubChem CID45120254
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC(OC)OC)C(C)=O
InChIInChI=1S/C9H17NO3/c1-5-6-10(8(2)11)7-9(12-3)13-4/h5,9H,1,6-7H2,2-4H3
InChIKeyHOPUDKXPBNYPTM-UHFFFAOYSA-N
XLogP0.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide (CID 45120254) is N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide is C=CCN(CC(OC)OC)C(C)=O.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide?
The InChIKey is HOPUDKXPBNYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-6-10(8(2)11)7-9(12-3)13-4/h5,9H,1,6-7H2,2-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide?
N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide has a molecular weight of 187.24 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 45120254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).