N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide

C16H25NO2 — CID 17060539

IUPACN-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-11-12(9-10-19-11)15(18)17-14-8-6-5-7-13(14)16(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,17,18)
InChIKeyVSTNGXCYHCGKLZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.92
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide

N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide (PubChem CID 17060539) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
PubChem CID17060539
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-11-12(9-10-19-11)15(18)17-14-8-6-5-7-13(14)16(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,17,18)
InChIKeyVSTNGXCYHCGKLZ-UHFFFAOYSA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Furmecyclox
CID 43359
[(1R)-1-[[(2S)-2-(furan-3-carbonylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 24861285
(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
N-(1-Benzyl-propyl)-3-furan-2-yl-acrylamide
CID 5762726
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide
CID 1292163
1-(Diphenylmethyl)-4-(2-methyl-3-furoyl)piperazine
CID 1293145
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
Cyclafuramid
CID 93178
N-cycloheptyl-2-methylfuran-3-carboxamide
CID 874225

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide (CID 17060539) is N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide?
The InChIKey is VSTNGXCYHCGKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-12(9-10-19-11)15(18)17-14-8-6-5-7-13(14)16(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,17,18).
What are the key properties of N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide?
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 17060539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).