1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide

C11H18N4O2 — CID 83109882

IUPAC1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N4O2/c1-15(2)10(17)14-7-6-13-9(16)11(8-12)4-3-5-11/h3-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyALCYIFPZKHKHBD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.07
Rot. Bonds4

About 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide

1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 83109882) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID83109882
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N4O2/c1-15(2)10(17)14-7-6-13-9(16)11(8-12)4-3-5-11/h3-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyALCYIFPZKHKHBD-UHFFFAOYSA-N
XLogP0.07
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
CID 78994466
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide
CID 112692116

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide (CID 83109882) is 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide is CN(C)C(=O)NCCNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is ALCYIFPZKHKHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(2)10(17)14-7-6-13-9(16)11(8-12)4-3-5-11/h3-7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 83109882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).