N-(N,N'-diacetylcarbamimidoyl)acetamide

C7H11N3O3 — CID 538353

IUPACN-(N,N'-diacetylcarbamimidoyl)acetamide
SMILESCC(=O)N=C(NC(C)=O)NC(C)=O
InChIInChI=1S/C7H11N3O3/c1-4(11)8-7(9-5(2)12)10-6(3)13/h1-3H3,(H2,8,9,10,11,12,13)
InChIKeyKZEWNKKIZZJOMW-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.84
Rot. Bonds

About N-(N,N'-diacetylcarbamimidoyl)acetamide

N-(N,N'-diacetylcarbamimidoyl)acetamide (PubChem CID 538353) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-(N,N'-diacetylcarbamimidoyl)acetamide.

Molecular Properties

Compound NameN-(N,N'-diacetylcarbamimidoyl)acetamide
PubChem CID538353
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-(N,N'-diacetylcarbamimidoyl)acetamide
SMILESCC(=O)N=C(NC(C)=O)NC(C)=O
InChIInChI=1S/C7H11N3O3/c1-4(11)8-7(9-5(2)12)10-6(3)13/h1-3H3,(H2,8,9,10,11,12,13)
InChIKeyKZEWNKKIZZJOMW-UHFFFAOYSA-N
XLogP-0.84
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N,N'-diacetylcarbamimidoyl)acetamide?
The IUPAC name of N-(N,N'-diacetylcarbamimidoyl)acetamide (CID 538353) is N-(N,N'-diacetylcarbamimidoyl)acetamide.
What is the SMILES notation for N-(N,N'-diacetylcarbamimidoyl)acetamide?
The canonical SMILES for N-(N,N'-diacetylcarbamimidoyl)acetamide is CC(=O)N=C(NC(C)=O)NC(C)=O.
What is the InChIKey of N-(N,N'-diacetylcarbamimidoyl)acetamide?
The InChIKey is KZEWNKKIZZJOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4(11)8-7(9-5(2)12)10-6(3)13/h1-3H3,(H2,8,9,10,11,12,13).
What are the key properties of N-(N,N'-diacetylcarbamimidoyl)acetamide?
N-(N,N'-diacetylcarbamimidoyl)acetamide has a molecular weight of 185.18 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N,N'-diacetylcarbamimidoyl)acetamide is sourced from PubChem (CID 538353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).