N-(propoxymethyl)propanamide

C7H15NO2 — CID 20734750

IUPACN-(propoxymethyl)propanamide
SMILESCCCOCNC(=O)CC
InChIInChI=1S/C7H15NO2/c1-3-5-10-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyIMPLUKGKNQTVLA-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.90
Rot. Bonds5

About N-(propoxymethyl)propanamide

N-(propoxymethyl)propanamide (PubChem CID 20734750) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(propoxymethyl)propanamide.

Molecular Properties

Compound NameN-(propoxymethyl)propanamide
PubChem CID20734750
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(propoxymethyl)propanamide
SMILESCCCOCNC(=O)CC
InChIInChI=1S/C7H15NO2/c1-3-5-10-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyIMPLUKGKNQTVLA-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.90
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(propoxymethyl)propanamide?
The IUPAC name of N-(propoxymethyl)propanamide (CID 20734750) is N-(propoxymethyl)propanamide.
What is the SMILES notation for N-(propoxymethyl)propanamide?
The canonical SMILES for N-(propoxymethyl)propanamide is CCCOCNC(=O)CC.
What is the InChIKey of N-(propoxymethyl)propanamide?
The InChIKey is IMPLUKGKNQTVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-10-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of N-(propoxymethyl)propanamide?
N-(propoxymethyl)propanamide has a molecular weight of 145.20 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propoxymethyl)propanamide is sourced from PubChem (CID 20734750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).