1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide

C14H18N2O3 — CID 110904465

IUPAC1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(O)c2ccco2)CCCCC1
InChIInChI=1S/C14H18N2O3/c15-10-14(6-2-1-3-7-14)13(18)16-9-11(17)12-5-4-8-19-12/h4-5,8,11,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyUOLLSUQDTOLQBX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.90
Rot. Bonds4

About 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide

1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide (PubChem CID 110904465) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
PubChem CID110904465
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(O)c2ccco2)CCCCC1
InChIInChI=1S/C14H18N2O3/c15-10-14(6-2-1-3-7-14)13(18)16-9-11(17)12-5-4-8-19-12/h4-5,8,11,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyUOLLSUQDTOLQBX-UHFFFAOYSA-N
XLogP1.90
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
CID 110011674
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
CID 61461953
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 86981034
N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 111434813
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide (CID 110904465) is 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide is N#CC1(C(=O)NCC(O)c2ccco2)CCCCC1.
What is the InChIKey of 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide?
The InChIKey is UOLLSUQDTOLQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-10-14(6-2-1-3-7-14)13(18)16-9-11(17)12-5-4-8-19-12/h4-5,8,11,17H,1-3,6-7,9H2,(H,16,18).
What are the key properties of 1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.90, 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-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 110904465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).