N-(3,5-dimethylcyclohexyl)furan-2-carboxamide

C13H19NO2 — CID 64722741

IUPACN-(3,5-dimethylcyclohexyl)furan-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccco2)C1
InChIInChI=1S/C13H19NO2/c1-9-6-10(2)8-11(7-9)14-13(15)12-4-3-5-16-12/h3-5,9-11H,6-8H2,1-2H3,(H,14,15)
InChIKeySKNVUXYNZVVEKO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.83
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)furan-2-carboxamide

N-(3,5-dimethylcyclohexyl)furan-2-carboxamide (PubChem CID 64722741) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)furan-2-carboxamide
PubChem CID64722741
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3,5-dimethylcyclohexyl)furan-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccco2)C1
InChIInChI=1S/C13H19NO2/c1-9-6-10(2)8-11(7-9)14-13(15)12-4-3-5-16-12/h3-5,9-11H,6-8H2,1-2H3,(H,14,15)
InChIKeySKNVUXYNZVVEKO-UHFFFAOYSA-N
XLogP2.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
CID 115267746
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-cyclooctylfuran-2-carboxamide
CID 790432
N-(1,1-dioxothietan-3-yl)furan-2-carboxamide
CID 130935311
[(3S,5R)-3,5-dimethylcyclohexyl] furan-2-carboxylate
CID 849243
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide
CID 130634883
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)furan-2-carboxamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)furan-2-carboxamide (CID 64722741) is N-(3,5-dimethylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)furan-2-carboxamide is CC1CC(C)CC(NC(=O)c2ccco2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)furan-2-carboxamide?
The InChIKey is SKNVUXYNZVVEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-10(2)8-11(7-9)14-13(15)12-4-3-5-16-12/h3-5,9-11H,6-8H2,1-2H3,(H,14,15).
What are the key properties of N-(3,5-dimethylcyclohexyl)furan-2-carboxamide?
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 64722741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).