2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide

C10H16N2O3 — CID 15120475

IUPAC2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCOCNC(=O)C(=C)C
InChIInChI=1S/C10H16N2O3/c1-7(2)9(13)11-5-15-6-12-10(14)8(3)4/h1,3,5-6H2,2,4H3,(H,11,13)(H,12,14)
InChIKeyVXIUUTZNWTZRHF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.30
Rot. Bonds6

About 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide

2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide (PubChem CID 15120475) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide
PubChem CID15120475
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCOCNC(=O)C(=C)C
InChIInChI=1S/C10H16N2O3/c1-7(2)9(13)11-5-15-6-12-10(14)8(3)4/h1,3,5-6H2,2,4H3,(H,11,13)(H,12,14)
InChIKeyVXIUUTZNWTZRHF-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide (CID 15120475) is 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide is C=C(C)C(=O)NCOCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide?
The InChIKey is VXIUUTZNWTZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)9(13)11-5-15-6-12-10(14)8(3)4/h1,3,5-6H2,2,4H3,(H,11,13)(H,12,14).
What are the key properties of 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide?
2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide is sourced from PubChem (CID 15120475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).