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

C34H50N4O8 — CID 160875585

IUPACN-[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
SMILESCC(C)[C@@H](C=O)NC(=O)C1(NC(=O)c2ccoc2)CCCCC1.CC(C)[C@@H](CO)NC(=O)C1(NC(=O)c2ccoc2)CCCCC1
InChIInChI=1S/C17H26N2O4.C17H24N2O4/c2*1-12(2)14(10-20)18-16(22)17(7-4-3-5-8-17)19-15(21)13-6-9-23-11-13/h6,9,11-12,14,20H,3-5,7-8,10H2,1-2H3,(H,18,22)(H,19,21);6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,22)(H,19,21)/t2*14-/m11/s1
InChIKeySMIQMFWAXQZITF-RPERETBRSA-N
MW642.79 g/mol
LogP3.90
Rot. Bonds12

About 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

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 (PubChem CID 160875585) has the molecular formula C34H50N4O8 and a molecular weight of 642.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160875585
Molecular FormulaC34H50N4O8
Molecular Weight642.79 g/mol
Exact Mass642.36
IUPAC NameN-[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
SMILESCC(C)[C@@H](C=O)NC(=O)C1(NC(=O)c2ccoc2)CCCCC1.CC(C)[C@@H](CO)NC(=O)C1(NC(=O)c2ccoc2)CCCCC1
InChIInChI=1S/C17H26N2O4.C17H24N2O4/c2*1-12(2)14(10-20)18-16(22)17(7-4-3-5-8-17)19-15(21)13-6-9-23-11-13/h6,9,11-12,14,20H,3-5,7-8,10H2,1-2H3,(H,18,22)(H,19,21);6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,22)(H,19,21)/t2*14-/m11/s1
InChIKeySMIQMFWAXQZITF-RPERETBRSA-N
XLogP3.90
TPSA179.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.79
LogP ≤ 53.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide
CID 24875902
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
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
CID 74341663
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305
2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 143504553
2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 71027951
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N-[(2S)-1-[[1-[2-(cyclopropylamino)-2-oxoacetyl]cyclobutyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]furan-3-carboxamide
CID 46240681
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 115438007
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[C@@H](C=O)NC(=O)C1(NC(=O)c2ccoc2)CCCCC1.CC(C)[C@@H](CO)NC(=O)C1(NC(=O)c2ccoc2)CCCCC1.
What is the InChIKey of 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?
The InChIKey is SMIQMFWAXQZITF-RPERETBRSA-N. The full InChI is InChI=1S/C17H26N2O4.C17H24N2O4/c2*1-12(2)14(10-20)18-16(22)17(7-4-3-5-8-17)19-15(21)13-6-9-23-11-13/h6,9,11-12,14,20H,3-5,7-8,10H2,1-2H3,(H,18,22)(H,19,21);6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,22)(H,19,21)/t2*14-/m11/s1.
What are the key properties of 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?
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 has a molecular weight of 642.79 g/mol, XLogP of 3.90, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160875585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).