N-(2-methylprop-2-enyl)-2-propoxyacetamide

C9H17NO2 — CID 104955622

IUPACN-(2-methylprop-2-enyl)-2-propoxyacetamide
SMILESC=C(C)CNC(=O)COCCC
InChIInChI=1S/C9H17NO2/c1-4-5-12-7-9(11)10-6-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyXIRCIOBPQJMGFL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds6

About N-(2-methylprop-2-enyl)-2-propoxyacetamide

N-(2-methylprop-2-enyl)-2-propoxyacetamide (PubChem CID 104955622) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-propoxyacetamide
PubChem CID104955622
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-methylprop-2-enyl)-2-propoxyacetamide
SMILESC=C(C)CNC(=O)COCCC
InChIInChI=1S/C9H17NO2/c1-4-5-12-7-9(11)10-6-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyXIRCIOBPQJMGFL-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
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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Related Compounds

N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
N-(11-oxododecyl)-2-propoxyacetamide
CID 20692360
N-ethyl-2-(2-methoxyethoxy)acetamide
CID 60651065

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-propoxyacetamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-propoxyacetamide (CID 104955622) is N-(2-methylprop-2-enyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-propoxyacetamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-propoxyacetamide is C=C(C)CNC(=O)COCCC.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-propoxyacetamide?
The InChIKey is XIRCIOBPQJMGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-12-7-9(11)10-6-8(2)3/h2,4-7H2,1,3H3,(H,10,11).
What are the key properties of N-(2-methylprop-2-enyl)-2-propoxyacetamide?
N-(2-methylprop-2-enyl)-2-propoxyacetamide has a molecular weight of 171.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-propoxyacetamide is sourced from PubChem (CID 104955622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).