N-(1-acetamido-2-oxopropyl)acetamide

C7H12N2O3 — CID 13130394

IUPACN-(1-acetamido-2-oxopropyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(C)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)7(8-5(2)11)9-6(3)12/h7H,1-3H3,(H,8,11)(H,9,12)
InChIKeyXDJSWGKQJDUSHR-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.83
Rot. Bonds3

About N-(1-acetamido-2-oxopropyl)acetamide

N-(1-acetamido-2-oxopropyl)acetamide (PubChem CID 13130394) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is N-(1-acetamido-2-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(1-acetamido-2-oxopropyl)acetamide
PubChem CID13130394
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC NameN-(1-acetamido-2-oxopropyl)acetamide
SMILESCC(=O)NC(NC(C)=O)C(C)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)7(8-5(2)11)9-6(3)12/h7H,1-3H3,(H,8,11)(H,9,12)
InChIKeyXDJSWGKQJDUSHR-UHFFFAOYSA-N
XLogP-0.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(1-acetamido-2-oxopropyl)acetamide?
The IUPAC name of N-(1-acetamido-2-oxopropyl)acetamide (CID 13130394) is N-(1-acetamido-2-oxopropyl)acetamide.
What is the SMILES notation for N-(1-acetamido-2-oxopropyl)acetamide?
The canonical SMILES for N-(1-acetamido-2-oxopropyl)acetamide is CC(=O)NC(NC(C)=O)C(C)=O.
What is the InChIKey of N-(1-acetamido-2-oxopropyl)acetamide?
The InChIKey is XDJSWGKQJDUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(10)7(8-5(2)11)9-6(3)12/h7H,1-3H3,(H,8,11)(H,9,12).
What are the key properties of N-(1-acetamido-2-oxopropyl)acetamide?
N-(1-acetamido-2-oxopropyl)acetamide has a molecular weight of 172.18 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-2-oxopropyl)acetamide is sourced from PubChem (CID 13130394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).