[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

C21H25NO5 — CID 11918315

IUPAC[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H25NO5/c1-15-7-5-6-10-18(15)22-20(23)14-26-21(24)19-12-11-17(27-19)13-25-16-8-3-2-4-9-16/h2-4,8-9,11-12,15,18H,5-7,10,13-14H2,1H3,(H,22,23)/t15-,18+/m1/s1
InChIKeyFHNHPMASAYHNCV-QAPCUYQASA-N
MW371.43 g/mol
LogP3.71
Rot. Bonds7

About [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 11918315) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID11918315
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H25NO5/c1-15-7-5-6-10-18(15)22-20(23)14-26-21(24)19-12-11-17(27-19)13-25-16-8-3-2-4-9-16/h2-4,8-9,11-12,15,18H,5-7,10,13-14H2,1H3,(H,22,23)/t15-,18+/m1/s1
InChIKeyFHNHPMASAYHNCV-QAPCUYQASA-N
XLogP3.71
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate with MolForge

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Related Compounds

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16519080
N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 31462340
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-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468728
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727812
[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468729
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468795
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2441435

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 11918315) is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is FHNHPMASAYHNCV-QAPCUYQASA-N. The full InChI is InChI=1S/C21H25NO5/c1-15-7-5-6-10-18(15)22-20(23)14-26-21(24)19-12-11-17(27-19)13-25-16-8-3-2-4-9-16/h2-4,8-9,11-12,15,18H,5-7,10,13-14H2,1H3,(H,22,23)/t15-,18+/m1/s1.
What are the key properties of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 371.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 11918315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).