1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide

C17H24N2O3 — CID 111478882

IUPAC1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)C2(C#N)CCCCC2)c(C)o1
InChIInChI=1S/C17H24N2O3/c1-12-9-14(13(2)22-12)16(3,21)11-19-15(20)17(10-18)7-5-4-6-8-17/h9,21H,4-8,11H2,1-3H3,(H,19,20)
InChIKeyQOXHWVTXXVYDGV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.69
Rot. Bonds4

About 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide

1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide (PubChem CID 111478882) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
PubChem CID111478882
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)C2(C#N)CCCCC2)c(C)o1
InChIInChI=1S/C17H24N2O3/c1-12-9-14(13(2)22-12)16(3,21)11-19-15(20)17(10-18)7-5-4-6-8-17/h9,21H,4-8,11H2,1-3H3,(H,19,20)
InChIKeyQOXHWVTXXVYDGV-UHFFFAOYSA-N
XLogP2.69
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 111520032
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 96570426
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(1-hydroxycyclohexyl)methyl]-2-methylguanidine;hydroiodide
CID 119152398
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
CID 96570436
4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 111912031
ethyl (2R)-3-[(1-cyanocyclopentanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 97307698
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide (CID 111478882) is 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide is Cc1cc(C(C)(O)CNC(=O)C2(C#N)CCCCC2)c(C)o1.
What is the InChIKey of 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The InChIKey is QOXHWVTXXVYDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-9-14(13(2)22-12)16(3,21)11-19-15(20)17(10-18)7-5-4-6-8-17/h9,21H,4-8,11H2,1-3H3,(H,19,20).
What are the key properties of 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 111478882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).