N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide

C9H17NO3 — CID 18794978

IUPACN-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(COC)COCC
InChIInChI=1S/C9H17NO3/c1-5-13-7-10(6-12-4)9(11)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyCWXODBOOPJEYLA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.99
Rot. Bonds6

About N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide

N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide (PubChem CID 18794978) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
PubChem CID18794978
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(COC)COCC
InChIInChI=1S/C9H17NO3/c1-5-13-7-10(6-12-4)9(11)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyCWXODBOOPJEYLA-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide (CID 18794978) is N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(COC)COCC.
What is the InChIKey of N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
The InChIKey is CWXODBOOPJEYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-13-7-10(6-12-4)9(11)8(2)3/h2,5-7H2,1,3-4H3.
What are the key properties of N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 18794978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).