2-methyl-N-(propoxymethyl)prop-2-enamide

C8H15NO2 — CID 22141900

IUPAC2-methyl-N-(propoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCOCCC
InChIInChI=1S/C8H15NO2/c1-4-5-11-6-9-8(10)7(2)3/h2,4-6H2,1,3H3,(H,9,10)
InChIKeyNYGLFZZNGBYARC-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.06
Rot. Bonds5

About 2-methyl-N-(propoxymethyl)prop-2-enamide

2-methyl-N-(propoxymethyl)prop-2-enamide (PubChem CID 22141900) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-N-(propoxymethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(propoxymethyl)prop-2-enamide
PubChem CID22141900
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-N-(propoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCOCCC
InChIInChI=1S/C8H15NO2/c1-4-5-11-6-9-8(10)7(2)3/h2,4-6H2,1,3H3,(H,9,10)
InChIKeyNYGLFZZNGBYARC-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(propoxymethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(propoxymethyl)prop-2-enamide (CID 22141900) is 2-methyl-N-(propoxymethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(propoxymethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(propoxymethyl)prop-2-enamide is C=C(C)C(=O)NCOCCC.
What is the InChIKey of 2-methyl-N-(propoxymethyl)prop-2-enamide?
The InChIKey is NYGLFZZNGBYARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-11-6-9-8(10)7(2)3/h2,4-6H2,1,3H3,(H,9,10).
What are the key properties of 2-methyl-N-(propoxymethyl)prop-2-enamide?
2-methyl-N-(propoxymethyl)prop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(propoxymethyl)prop-2-enamide is sourced from PubChem (CID 22141900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).