N-(C,N-dibutylcarbonimidoyl)acetamide

C11H22N2O — CID 87419306

IUPACN-(C,N-dibutylcarbonimidoyl)acetamide
SMILESCCCC/N=C(\CCCC)NC(C)=O
InChIInChI=1S/C11H22N2O/c1-4-6-8-11(13-10(3)14)12-9-7-5-2/h4-9H2,1-3H3,(H,12,13,14)
InChIKeyHCEHBKWOCBIUGN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.51
Rot. Bonds6

About N-(C,N-dibutylcarbonimidoyl)acetamide

N-(C,N-dibutylcarbonimidoyl)acetamide (PubChem CID 87419306) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(C,N-dibutylcarbonimidoyl)acetamide.

Molecular Properties

Compound NameN-(C,N-dibutylcarbonimidoyl)acetamide
PubChem CID87419306
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(C,N-dibutylcarbonimidoyl)acetamide
SMILESCCCC/N=C(\CCCC)NC(C)=O
InChIInChI=1S/C11H22N2O/c1-4-6-8-11(13-10(3)14)12-9-7-5-2/h4-9H2,1-3H3,(H,12,13,14)
InChIKeyHCEHBKWOCBIUGN-UHFFFAOYSA-N
XLogP2.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(C,N-dibutylcarbonimidoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(C,N-dibutylcarbonimidoyl)acetamide?
The IUPAC name of N-(C,N-dibutylcarbonimidoyl)acetamide (CID 87419306) is N-(C,N-dibutylcarbonimidoyl)acetamide.
What is the SMILES notation for N-(C,N-dibutylcarbonimidoyl)acetamide?
The canonical SMILES for N-(C,N-dibutylcarbonimidoyl)acetamide is CCCC/N=C(\CCCC)NC(C)=O.
What is the InChIKey of N-(C,N-dibutylcarbonimidoyl)acetamide?
The InChIKey is HCEHBKWOCBIUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-8-11(13-10(3)14)12-9-7-5-2/h4-9H2,1-3H3,(H,12,13,14).
What are the key properties of N-(C,N-dibutylcarbonimidoyl)acetamide?
N-(C,N-dibutylcarbonimidoyl)acetamide has a molecular weight of 198.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C,N-dibutylcarbonimidoyl)acetamide is sourced from PubChem (CID 87419306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).