N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide

C17H24N2O4 — CID 24875902

IUPACN-[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
InChIInChI=1S/C17H24N2O4/c1-12(2)14(10-20)18-16(22)17(7-4-3-5-8-17)19-15(21)13-6-9-23-11-13/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyBAIPDFTTYCJZIY-CQSZACIVSA-N
MW320.39 g/mol
LogP2.05
Rot. Bonds6

About N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide

N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide (PubChem CID 24875902) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide
PubChem CID24875902
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[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
InChIInChI=1S/C17H24N2O4/c1-12(2)14(10-20)18-16(22)17(7-4-3-5-8-17)19-15(21)13-6-9-23-11-13/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyBAIPDFTTYCJZIY-CQSZACIVSA-N
XLogP2.05
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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)-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
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
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
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
N-[(2S)-1-[[1-[2-(cyclopropylamino)-2-oxoacetyl]cyclobutyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]furan-3-carboxamide
CID 46240681
furan-3-yl-(1-methylcyclohexyl)methanone
CID 106829578
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 43341551
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide?
The IUPAC name of N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide (CID 24875902) is N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide?
The canonical SMILES for 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.
What is the InChIKey of N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide?
The InChIKey is BAIPDFTTYCJZIY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)14(10-20)18-16(22)17(7-4-3-5-8-17)19-15(21)13-6-9-23-11-13/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,18,22)(H,19,21)/t14-/m1/s1.
What are the key properties of N-[1-[[(2S)-3-methyl-1-oxobutan-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 320.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide is sourced from PubChem (CID 24875902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).