N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide

C12H20N2O2 — CID 103520565

IUPACN-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCCCC(C#N)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H20N2O2/c1-3-5-10(9-13)14-11(15)8-12(16-2)6-4-7-12/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKGZWJKHIQXYRAQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds6

About N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide

N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103520565) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103520565
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCCCC(C#N)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H20N2O2/c1-3-5-10(9-13)14-11(15)8-12(16-2)6-4-7-12/h10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKGZWJKHIQXYRAQ-UHFFFAOYSA-N
XLogP1.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)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-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide (CID 103520565) is N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide is CCCC(C#N)NC(=O)CC1(OC)CCC1.
What is the InChIKey of N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is KGZWJKHIQXYRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-10(9-13)14-11(15)8-12(16-2)6-4-7-12/h10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide?
N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103520565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).