N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide

C19H23NO3 — CID 31462340

IUPACN-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H23NO3/c1-14-7-5-6-10-17(14)20-19(21)18-12-11-16(23-18)13-22-15-8-3-2-4-9-15/h2-4,8-9,11-12,14,17H,5-7,10,13H2,1H3,(H,20,21)/t14-,17-/m0/s1
InChIKeySCOLMFXCNQCHJM-YOEHRIQHSA-N
MW313.40 g/mol
LogP4.17
Rot. Bonds5

About N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide

N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 31462340) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID31462340
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H23NO3/c1-14-7-5-6-10-17(14)20-19(21)18-12-11-16(23-18)13-22-15-8-3-2-4-9-15/h2-4,8-9,11-12,14,17H,5-7,10,13H2,1H3,(H,20,21)/t14-,17-/m0/s1
InChIKeySCOLMFXCNQCHJM-YOEHRIQHSA-N
XLogP4.17
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 11918315
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 94121385
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 100839263
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16519080
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 36873362
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120557308

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 31462340) is N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide is C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is SCOLMFXCNQCHJM-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-7-5-6-10-17(14)20-19(21)18-12-11-16(23-18)13-22-15-8-3-2-4-9-15/h2-4,8-9,11-12,14,17H,5-7,10,13H2,1H3,(H,20,21)/t14-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 31462340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).