N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide

C15H20N2O2 — CID 112731234

IUPACN-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC2(C#N)CCCCCC2)o1
InChIInChI=1S/C15H20N2O2/c1-2-12-7-8-13(19-12)14(18)17-15(11-16)9-5-3-4-6-10-15/h7-8H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyVAFAOFQBECUDKZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.19
Rot. Bonds3

About N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide

N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide (PubChem CID 112731234) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
PubChem CID112731234
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC2(C#N)CCCCCC2)o1
InChIInChI=1S/C15H20N2O2/c1-2-12-7-8-13(19-12)14(18)17-15(11-16)9-5-3-4-6-10-15/h7-8H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyVAFAOFQBECUDKZ-UHFFFAOYSA-N
XLogP3.19
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
5-ethyl-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764668
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
CID 54940554
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
CID 78969874
N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide
CID 61150971
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-ethylfuran-2-carboxamide
CID 47031293
N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 60968675
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide (CID 112731234) is N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC2(C#N)CCCCCC2)o1.
What is the InChIKey of N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide?
The InChIKey is VAFAOFQBECUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-12-7-8-13(19-12)14(18)17-15(11-16)9-5-3-4-6-10-15/h7-8H,2-6,9-10H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide?
N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 112731234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).