N-(2-methoxypropyl)-2-methylprop-2-enamide

C8H15NO2 — CID 102118135

IUPACN-(2-methoxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)OC
InChIInChI=1S/C8H15NO2/c1-6(2)8(10)9-5-7(3)11-4/h7H,1,5H2,2-4H3,(H,9,10)
InChIKeyMMLJJPMZNXKJOF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds4

About N-(2-methoxypropyl)-2-methylprop-2-enamide

N-(2-methoxypropyl)-2-methylprop-2-enamide (PubChem CID 102118135) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-methylprop-2-enamide
PubChem CID102118135
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2-methoxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)OC
InChIInChI=1S/C8H15NO2/c1-6(2)8(10)9-5-7(3)11-4/h7H,1,5H2,2-4H3,(H,9,10)
InChIKeyMMLJJPMZNXKJOF-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-methoxypropyl)-2-methylprop-2-enamide (CID 102118135) is N-(2-methoxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-methoxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-methoxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(C)OC.
What is the InChIKey of N-(2-methoxypropyl)-2-methylprop-2-enamide?
The InChIKey is MMLJJPMZNXKJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)8(10)9-5-7(3)11-4/h7H,1,5H2,2-4H3,(H,9,10).
What are the key properties of N-(2-methoxypropyl)-2-methylprop-2-enamide?
N-(2-methoxypropyl)-2-methylprop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 102118135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).