N-(1-acetamidobutyl)acetamide

C8H16N2O2 — CID 13193578

IUPACN-(1-acetamidobutyl)acetamide
SMILESCCCC(NC(C)=O)NC(C)=O
InChIInChI=1S/C8H16N2O2/c1-4-5-8(9-6(2)11)10-7(3)12/h8H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyKSEUOODWXIZKOW-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.38
Rot. Bonds4

About N-(1-acetamidobutyl)acetamide

N-(1-acetamidobutyl)acetamide (PubChem CID 13193578) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(1-acetamidobutyl)acetamide.

Molecular Properties

Compound NameN-(1-acetamidobutyl)acetamide
PubChem CID13193578
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(1-acetamidobutyl)acetamide
SMILESCCCC(NC(C)=O)NC(C)=O
InChIInChI=1S/C8H16N2O2/c1-4-5-8(9-6(2)11)10-7(3)12/h8H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyKSEUOODWXIZKOW-UHFFFAOYSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-acetamidobutyl)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-(1-acetamidobutyl)acetamide?
The IUPAC name of N-(1-acetamidobutyl)acetamide (CID 13193578) is N-(1-acetamidobutyl)acetamide.
What is the SMILES notation for N-(1-acetamidobutyl)acetamide?
The canonical SMILES for N-(1-acetamidobutyl)acetamide is CCCC(NC(C)=O)NC(C)=O.
What is the InChIKey of N-(1-acetamidobutyl)acetamide?
The InChIKey is KSEUOODWXIZKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-5-8(9-6(2)11)10-7(3)12/h8H,4-5H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of N-(1-acetamidobutyl)acetamide?
N-(1-acetamidobutyl)acetamide has a molecular weight of 172.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamidobutyl)acetamide is sourced from PubChem (CID 13193578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).