N-(1-amino-4-oxopentoxy)acetamide

C7H14N2O3 — CID 87260245

IUPACN-(1-amino-4-oxopentoxy)acetamide
SMILESCC(=O)CCC(N)ONC(C)=O
InChIInChI=1S/C7H14N2O3/c1-5(10)3-4-7(8)12-9-6(2)11/h7H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyJQJLIJPASBMCSY-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.29
Rot. Bonds5

About N-(1-amino-4-oxopentoxy)acetamide

N-(1-amino-4-oxopentoxy)acetamide (PubChem CID 87260245) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N-(1-amino-4-oxopentoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-oxopentoxy)acetamide
PubChem CID87260245
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN-(1-amino-4-oxopentoxy)acetamide
SMILESCC(=O)CCC(N)ONC(C)=O
InChIInChI=1S/C7H14N2O3/c1-5(10)3-4-7(8)12-9-6(2)11/h7H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyJQJLIJPASBMCSY-UHFFFAOYSA-N
XLogP-0.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-oxopentoxy)acetamide?
The IUPAC name of N-(1-amino-4-oxopentoxy)acetamide (CID 87260245) is N-(1-amino-4-oxopentoxy)acetamide.
What is the SMILES notation for N-(1-amino-4-oxopentoxy)acetamide?
The canonical SMILES for N-(1-amino-4-oxopentoxy)acetamide is CC(=O)CCC(N)ONC(C)=O.
What is the InChIKey of N-(1-amino-4-oxopentoxy)acetamide?
The InChIKey is JQJLIJPASBMCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(10)3-4-7(8)12-9-6(2)11/h7H,3-4,8H2,1-2H3,(H,9,11).
What are the key properties of N-(1-amino-4-oxopentoxy)acetamide?
N-(1-amino-4-oxopentoxy)acetamide has a molecular weight of 174.20 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-oxopentoxy)acetamide is sourced from PubChem (CID 87260245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).