N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C11H16N2O4 — CID 51279310

IUPACN-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCONC(=O)C(NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)9(11(15)13-16-3)12-10(14)8-5-4-6-17-8/h4-7,9H,1-3H3,(H,12,14)(H,13,15)
InChIKeyCDZILAARPYBHES-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.71
Rot. Bonds5

About N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 51279310) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID51279310
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCONC(=O)C(NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C11H16N2O4/c1-7(2)9(11(15)13-16-3)12-10(14)8-5-4-6-17-8/h4-7,9H,1-3H3,(H,12,14)(H,13,15)
InChIKeyCDZILAARPYBHES-UHFFFAOYSA-N
XLogP0.71
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78771444
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
2-methoxyethyl N-[3-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]carbamate
CID 47740738
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
CID 78775760
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575771
N-[1-[1-(4-methoxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55371879

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 51279310) is N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CONC(=O)C(NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is CDZILAARPYBHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)9(11(15)13-16-3)12-10(14)8-5-4-6-17-8/h4-7,9H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51279310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).