1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide

C12H18N2O2 — CID 103993297

IUPAC1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCC2)CCC1
InChIInChI=1S/C12H18N2O2/c1-16-12(6-3-7-12)9-14-10(15)11(8-13)4-2-5-11/h2-7,9H2,1H3,(H,14,15)
InChIKeyPHLUGFBVCVJYDC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds4

About 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide

1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide (PubChem CID 103993297) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
PubChem CID103993297
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
SMILESCOC1(CNC(=O)C2(C#N)CCC2)CCC1
InChIInChI=1S/C12H18N2O2/c1-16-12(6-3-7-12)9-14-10(15)11(8-13)4-2-5-11/h2-7,9H2,1H3,(H,14,15)
InChIKeyPHLUGFBVCVJYDC-UHFFFAOYSA-N
XLogP1.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 107299347
1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 103839419
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 111434283
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide (CID 103993297) is 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide is COC1(CNC(=O)C2(C#N)CCC2)CCC1.
What is the InChIKey of 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is PHLUGFBVCVJYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12(6-3-7-12)9-14-10(15)11(8-13)4-2-5-11/h2-7,9H2,1H3,(H,14,15).
What are the key properties of 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide?
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 103993297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).