furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate

C36H54N4O10 — CID 161101792

IUPACfuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate
SMILESCC(C)[C@@H](C=O)NC(=O)C1(NC(=O)OCc2ccco2)CCCCC1.CC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCc2ccco2)CCCCC1
InChIInChI=1S/C18H28N2O5.C18H26N2O5/c2*1-13(2)15(11-21)19-16(22)18(8-4-3-5-9-18)20-17(23)25-12-14-7-6-10-24-14/h6-7,10,13,15,21H,3-5,8-9,11-12H2,1-2H3,(H,19,22)(H,20,23);6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,22)(H,20,23)/t2*15-/m11/s1
InChIKeyUINKVXMMYQGPQA-PZYGRECOSA-N
MW702.85 g/mol
LogP4.89
Rot. Bonds14

About furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate

furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate (PubChem CID 161101792) has the molecular formula C36H54N4O10 and a molecular weight of 702.85 g/mol. Its IUPAC name is furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namefuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate
PubChem CID161101792
Molecular FormulaC36H54N4O10
Molecular Weight702.85 g/mol
Exact Mass702.38
IUPAC Namefuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate
SMILESCC(C)[C@@H](C=O)NC(=O)C1(NC(=O)OCc2ccco2)CCCCC1.CC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCc2ccco2)CCCCC1
InChIInChI=1S/C18H28N2O5.C18H26N2O5/c2*1-13(2)15(11-21)19-16(22)18(8-4-3-5-9-18)20-17(23)25-12-14-7-6-10-24-14/h6-7,10,13,15,21H,3-5,8-9,11-12H2,1-2H3,(H,19,22)(H,20,23);6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,22)(H,20,23)/t2*15-/m11/s1
InChIKeyUINKVXMMYQGPQA-PZYGRECOSA-N
XLogP4.89
TPSA198.44 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.85
LogP ≤ 54.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate with MolForge

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Related Compounds

benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
CID 74341663
N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide;N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide
CID 160875585
2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 143504553
1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 158095708
2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 71027951
N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide
CID 24875902
(2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 24740123
methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
CID 74341660
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466
furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
CID 143101772

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The IUPAC name of furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate (CID 161101792) is furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate is CC(C)[C@@H](C=O)NC(=O)C1(NC(=O)OCc2ccco2)CCCCC1.CC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCc2ccco2)CCCCC1.
What is the InChIKey of furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The InChIKey is UINKVXMMYQGPQA-PZYGRECOSA-N. The full InChI is InChI=1S/C18H28N2O5.C18H26N2O5/c2*1-13(2)15(11-21)19-16(22)18(8-4-3-5-9-18)20-17(23)25-12-14-7-6-10-24-14/h6-7,10,13,15,21H,3-5,8-9,11-12H2,1-2H3,(H,19,22)(H,20,23);6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,22)(H,20,23)/t2*15-/m11/s1.
What are the key properties of furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate?
furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate has a molecular weight of 702.85 g/mol, XLogP of 4.89, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 161101792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).