N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide

C13H24N2O4 — CID 174821767

IUPACN-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCOCC(C)C.C=CC(=O)NOC
InChIInChI=1S/C9H17NO2.C4H7NO2/c1-7(2)5-12-6-10-9(11)8(3)4;1-3-4(6)5-7-2/h7H,3,5-6H2,1-2,4H3,(H,10,11);3H,1H2,2H3,(H,5,6)
InChIKeyQURVUHVVGMDGFI-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.16
Rot. Bonds7

About N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide

N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide (PubChem CID 174821767) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide
PubChem CID174821767
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCOCC(C)C.C=CC(=O)NOC
InChIInChI=1S/C9H17NO2.C4H7NO2/c1-7(2)5-12-6-10-9(11)8(3)4;1-3-4(6)5-7-2/h7H,3,5-6H2,1-2,4H3,(H,10,11);3H,1H2,2H3,(H,5,6)
InChIKeyQURVUHVVGMDGFI-UHFFFAOYSA-N
XLogP1.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide?
The IUPAC name of N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide (CID 174821767) is N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide.
What is the SMILES notation for N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide?
The canonical SMILES for N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide is C=C(C)C(=O)NCOCC(C)C.C=CC(=O)NOC.
What is the InChIKey of N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide?
The InChIKey is QURVUHVVGMDGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C4H7NO2/c1-7(2)5-12-6-10-9(11)8(3)4;1-3-4(6)5-7-2/h7H,3,5-6H2,1-2,4H3,(H,10,11);3H,1H2,2H3,(H,5,6).
What are the key properties of N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide?
N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide has a molecular weight of 272.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide is sourced from PubChem (CID 174821767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).