1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide

C11H18N2O2 — CID 78994604

IUPAC1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
SMILESCOCCCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-15-8-3-2-7-13-10(14)11(9-12)5-4-6-11/h2-8H2,1H3,(H,13,14)
InChIKeyCHNIVHIIANIEHC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds6

About 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide

1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide (PubChem CID 78994604) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
PubChem CID78994604
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
SMILESCOCCCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-15-8-3-2-7-13-10(14)11(9-12)5-4-6-11/h2-8H2,1H3,(H,13,14)
InChIKeyCHNIVHIIANIEHC-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 103993297
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121
1-cyano-N-(3-cyclopropylpropyl)cyclopentane-1-carboxamide
CID 115635940
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
CID 113463827

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide (CID 78994604) is 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide is COCCCCNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide?
The InChIKey is CHNIVHIIANIEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-8-3-2-7-13-10(14)11(9-12)5-4-6-11/h2-8H2,1H3,(H,13,14).
What are the key properties of 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide?
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).