N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide

C15H23NO2 — CID 27451326

IUPACN-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
SMILESCC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccco1
InChIInChI=1S/C15H23NO2/c1-15(2,3)11-7-4-5-8-12(11)16-14(17)13-9-6-10-18-13/h6,9-12H,4-5,7-8H2,1-3H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyOCZVKLUNADCPRO-VXGBXAGGSA-N
MW249.35 g/mol
LogP3.61
Rot. Bonds2

About N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide

N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide (PubChem CID 27451326) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
PubChem CID27451326
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
SMILESCC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccco1
InChIInChI=1S/C15H23NO2/c1-15(2,3)11-7-4-5-8-12(11)16-14(17)13-9-6-10-18-13/h6,9-12H,4-5,7-8H2,1-3H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyOCZVKLUNADCPRO-VXGBXAGGSA-N
XLogP3.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
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-cyclooctylfuran-2-carboxamide
CID 790432
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]furan-2-carboxamide
CID 94121408
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
CID 102851083
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
CID 95624806
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide (CID 27451326) is N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide is CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccco1.
What is the InChIKey of N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide?
The InChIKey is OCZVKLUNADCPRO-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)11-7-4-5-8-12(11)16-14(17)13-9-6-10-18-13/h6,9-12H,4-5,7-8H2,1-3H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide?
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide has a molecular weight of 249.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 27451326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).