N-(propoxymethyl)prop-2-enamide

C7H13NO2 — CID 22596499

IUPACN-(propoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOCCC
InChIInChI=1S/C7H13NO2/c1-3-5-10-6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeyXTMDYDPHCFUVKQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.67
Rot. Bonds5

About N-(propoxymethyl)prop-2-enamide

N-(propoxymethyl)prop-2-enamide (PubChem CID 22596499) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(propoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(propoxymethyl)prop-2-enamide
PubChem CID22596499
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(propoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOCCC
InChIInChI=1S/C7H13NO2/c1-3-5-10-6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKeyXTMDYDPHCFUVKQ-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.67
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 N-(propoxymethyl)prop-2-enamide?
The IUPAC name of N-(propoxymethyl)prop-2-enamide (CID 22596499) is N-(propoxymethyl)prop-2-enamide.
What is the SMILES notation for N-(propoxymethyl)prop-2-enamide?
The canonical SMILES for N-(propoxymethyl)prop-2-enamide is C=CC(=O)NCOCCC.
What is the InChIKey of N-(propoxymethyl)prop-2-enamide?
The InChIKey is XTMDYDPHCFUVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-10-6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9).
What are the key properties of N-(propoxymethyl)prop-2-enamide?
N-(propoxymethyl)prop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propoxymethyl)prop-2-enamide is sourced from PubChem (CID 22596499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).