N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide

C12H18N2O2 — CID 114821924

IUPACN-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2N)co1
InChIInChI=1S/C12H18N2O2/c1-8-6-9(7-16-8)12(15)14-11-5-3-2-4-10(11)13/h6-7,10-11H,2-5,13H2,1H3,(H,14,15)
InChIKeyKKDIHUXGEOMAMK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.59
Rot. Bonds2

About N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide

N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide (PubChem CID 114821924) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
PubChem CID114821924
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2N)co1
InChIInChI=1S/C12H18N2O2/c1-8-6-9(7-16-8)12(15)14-11-5-3-2-4-10(11)13/h6-7,10-11H,2-5,13H2,1H3,(H,14,15)
InChIKeyKKDIHUXGEOMAMK-UHFFFAOYSA-N
XLogP1.59
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-methylfuran-3-carboxamide
CID 114821678
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
N-(2-aminocycloheptyl)furan-3-carboxamide
CID 63258203
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocycloheptyl)-4-hydroxy-3-methylbenzamide
CID 107672030
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
5-methyl-N-(4-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 114819355
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide (CID 114821924) is N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCCCC2N)co1.
What is the InChIKey of N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide?
The InChIKey is KKDIHUXGEOMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-9(7-16-8)12(15)14-11-5-3-2-4-10(11)13/h6-7,10-11H,2-5,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide?
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114821924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).