N-(2-propoxyethyl)acetamide

C7H15NO2 — CID 18955686

IUPACN-(2-propoxyethyl)acetamide
SMILESCCCOCCNC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-5-10-6-4-8-7(2)9/h3-6H2,1-2H3,(H,8,9)
InChIKeyJVQALPFABFBUJW-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds5

About N-(2-propoxyethyl)acetamide

N-(2-propoxyethyl)acetamide (PubChem CID 18955686) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(2-propoxyethyl)acetamide.

Molecular Properties

Compound NameN-(2-propoxyethyl)acetamide
PubChem CID18955686
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(2-propoxyethyl)acetamide
SMILESCCCOCCNC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-5-10-6-4-8-7(2)9/h3-6H2,1-2H3,(H,8,9)
InChIKeyJVQALPFABFBUJW-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)acetamide?
The IUPAC name of N-(2-propoxyethyl)acetamide (CID 18955686) is N-(2-propoxyethyl)acetamide.
What is the SMILES notation for N-(2-propoxyethyl)acetamide?
The canonical SMILES for N-(2-propoxyethyl)acetamide is CCCOCCNC(C)=O.
What is the InChIKey of N-(2-propoxyethyl)acetamide?
The InChIKey is JVQALPFABFBUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-10-6-4-8-7(2)9/h3-6H2,1-2H3,(H,8,9).
What are the key properties of N-(2-propoxyethyl)acetamide?
N-(2-propoxyethyl)acetamide has a molecular weight of 145.20 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)acetamide is sourced from PubChem (CID 18955686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).