2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide

C14H21NO2 — CID 7028594

IUPAC2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)c(C)o1
InChIInChI=1S/C14H21NO2/c1-9-6-4-5-7-13(9)15-14(16)12-8-10(2)17-11(12)3/h8-9,13H,4-7H2,1-3H3,(H,15,16)/t9-,13-/m1/s1
InChIKeyPGNPRCNLKNZIBC-NOZJJQNGSA-N
MW235.33 g/mol
LogP3.20
Rot. Bonds2

About 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide

2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide (PubChem CID 7028594) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
PubChem CID7028594
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)c(C)o1
InChIInChI=1S/C14H21NO2/c1-9-6-4-5-7-13(9)15-14(16)12-8-10(2)17-11(12)3/h8-9,13H,4-7H2,1-3H3,(H,15,16)/t9-,13-/m1/s1
InChIKeyPGNPRCNLKNZIBC-NOZJJQNGSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8625941
5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 54393495
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 43594107
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
CID 81109910
N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
CID 78798957

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide (CID 7028594) is 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide?
The InChIKey is PGNPRCNLKNZIBC-NOZJJQNGSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-4-5-7-13(9)15-14(16)12-8-10(2)17-11(12)3/h8-9,13H,4-7H2,1-3H3,(H,15,16)/t9-,13-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide?
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide is sourced from PubChem (CID 7028594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).