1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide

C12H20N2O3 — CID 113467755

IUPAC1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCN(CCO)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C12H20N2O3/c1-10-7-12(8-10,9-13)11(16)14(3-5-15)4-6-17-2/h10,15H,3-8H2,1-2H3
InChIKeyVLNPQYBAPFUFQI-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.39
Rot. Bonds6

About 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 113467755) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
PubChem CID113467755
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCN(CCO)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C12H20N2O3/c1-10-7-12(8-10,9-13)11(16)14(3-5-15)4-6-17-2/h10,15H,3-8H2,1-2H3
InChIKeyVLNPQYBAPFUFQI-UHFFFAOYSA-N
XLogP0.39
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467723
1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide
CID 80599578
1-cyano-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80597899
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 80599346
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 78994668
N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80502268
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80588345
1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 80501552
N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80501320
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpiperidine-2-carboxamide
CID 113467728

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide (CID 113467755) is 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide is COCCN(CCO)C(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is VLNPQYBAPFUFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10-7-12(8-10,9-13)11(16)14(3-5-15)4-6-17-2/h10,15H,3-8H2,1-2H3.
What are the key properties of 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 113467755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).