N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide

C14H21NO2 — CID 51969450

IUPACN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1
InChIInChI=1S/C14H21NO2/c1-9-5-4-6-12(11(9)3)15-14(16)13-8-7-10(2)17-13/h7-9,11-12H,4-6H2,1-3H3,(H,15,16)/t9-,11-,12+/m0/s1
InChIKeyMVGNYNBNSZJXMP-ZMLRMANQSA-N
MW235.33 g/mol
LogP3.14
Rot. Bonds2

About N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide (PubChem CID 51969450) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
PubChem CID51969450
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1
InChIInChI=1S/C14H21NO2/c1-9-5-4-6-12(11(9)3)15-14(16)13-8-7-10(2)17-13/h7-9,11-12H,4-6H2,1-3H3,(H,15,16)/t9-,11-,12+/m0/s1
InChIKeyMVGNYNBNSZJXMP-ZMLRMANQSA-N
XLogP3.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
N-(2-cyanocyclopentyl)-5-methylfuran-2-carboxamide
CID 62961798
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(S)-(4-methylphenyl)methylsulfinyl]methyl]furan-2-carboxamide
CID 99843514
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-[(1S,2R)-2-tert-butylcyclohexyl]-5-methylfuran-2-carboxamide
CID 27459810
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92662337
N-(2,3-dimethylcyclohexyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24819810
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 25352780
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 51423941
5-[(4-chlorophenyl)sulfonylmethyl]-N-(2,3-dimethylcyclohexyl)furan-2-carboxamide
CID 15995022
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide (CID 51969450) is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1.
What is the InChIKey of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide?
The InChIKey is MVGNYNBNSZJXMP-ZMLRMANQSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-5-4-6-12(11(9)3)15-14(16)13-8-7-10(2)17-13/h7-9,11-12H,4-6H2,1-3H3,(H,15,16)/t9-,11-,12+/m0/s1.
What are the key properties of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide?
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 51969450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).