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

C15H20N2O2 — CID 61461953

IUPAC1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H20N2O2/c1-12(10-13-6-5-9-19-13)17-14(18)15(11-16)7-3-2-4-8-15/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyDQBKAOKLCAVNIT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.80
Rot. Bonds4

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

1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 61461953) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID61461953
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H20N2O2/c1-12(10-13-6-5-9-19-13)17-14(18)15(11-16)7-3-2-4-8-15/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyDQBKAOKLCAVNIT-UHFFFAOYSA-N
XLogP2.80
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
CID 110904465
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82938688
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78994589
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
2-cyano-N-[1-(furan-2-yl)propan-2-yl]-2-phenylacetamide
CID 62876840

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide (CID 61461953) is 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide is CC(Cc1ccco1)NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is DQBKAOKLCAVNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(10-13-6-5-9-19-13)17-14(18)15(11-16)7-3-2-4-8-15/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide?
1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.80, 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-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61461953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).