N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide

C12H17NO3 — CID 104927715

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H17NO3/c1-8-9(6-7-16-8)12(15)13-10-4-2-3-5-11(10)14/h6-7,10-11,14H,2-5H2,1H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyFDMWKLVGCBSCOV-GHMZBOCLSA-N
MW223.27 g/mol
LogP1.62
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide (PubChem CID 104927715) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
PubChem CID104927715
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H17NO3/c1-8-9(6-7-16-8)12(15)13-10-4-2-3-5-11(10)14/h6-7,10-11,14H,2-5H2,1H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyFDMWKLVGCBSCOV-GHMZBOCLSA-N
XLogP1.62
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172
2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
1-[(2-methylfuran-3-carbonyl)amino]-3-[2-(trifluoromethyl)cyclohexyl]thiourea
CID 123931750
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylfuran-3-carboxamide
CID 43594332
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
CID 107211262
cyclopentyl-(2-methylfuran-3-yl)methanone
CID 104789343

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide (CID 104927715) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide?
The InChIKey is FDMWKLVGCBSCOV-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-9(6-7-16-8)12(15)13-10-4-2-3-5-11(10)14/h6-7,10-11,14H,2-5H2,1H3,(H,13,15)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 104927715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).