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

C20H25NO3 — CID 25352780

IUPACN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H25NO3/c1-14-7-6-10-18(15(14)2)21-20(22)19-12-11-17(24-19)13-23-16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,18H,6-7,10,13H2,1-2H3,(H,21,22)/t14-,15-,18+/m1/s1
InChIKeyRSTUAYCZSBIHGT-RKVPGOIHSA-N
MW327.42 g/mol
LogP4.41
Rot. Bonds5

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

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 25352780) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID25352780
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H25NO3/c1-14-7-6-10-18(15(14)2)21-20(22)19-12-11-17(24-19)13-23-16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,18H,6-7,10,13H2,1-2H3,(H,21,22)/t14-,15-,18+/m1/s1
InChIKeyRSTUAYCZSBIHGT-RKVPGOIHSA-N
XLogP4.41
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-(2,3-dimethylcyclohexyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24819810
N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 31462340
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16519080
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-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 11918315
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
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]-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92662337
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 36873362

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 25352780) is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is RSTUAYCZSBIHGT-RKVPGOIHSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-7-6-10-18(15(14)2)21-20(22)19-12-11-17(24-19)13-23-16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,18H,6-7,10,13H2,1-2H3,(H,21,22)/t14-,15-,18+/m1/s1.
What are the key properties of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 327.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 25352780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).