N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide

C10H14BrN3O3 — CID 106855764

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide
SMILESCC(CN(C)C(=O)c1ccoc1Br)/C(N)=N/O
InChIInChI=1S/C10H14BrN3O3/c1-6(9(12)13-16)5-14(2)10(15)7-3-4-17-8(7)11/h3-4,6,16H,5H2,1-2H3,(H2,12,13)
InChIKeyXVLDZBVHFGOSRI-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.50
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide (PubChem CID 106855764) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide
PubChem CID106855764
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide
SMILESCC(CN(C)C(=O)c1ccoc1Br)/C(N)=N/O
InChIInChI=1S/C10H14BrN3O3/c1-6(9(12)13-16)5-14(2)10(15)7-3-4-17-8(7)11/h3-4,6,16H,5H2,1-2H3,(H2,12,13)
InChIKeyXVLDZBVHFGOSRI-UHFFFAOYSA-N
XLogP1.50
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N,5-dimethylbenzamide
CID 81118021
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-4-fluoro-N-methylbenzamide
CID 107956485
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,4-dihydroxy-N-methylbenzamide
CID 107728901
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-5-fluoro-N-methylbenzamide
CID 54991594
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-5-chloro-N-methylbenzamide
CID 107940523
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 76910914
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
CID 77057561
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide
CID 76951085
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide
CID 55059953

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide (CID 106855764) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide is CC(CN(C)C(=O)c1ccoc1Br)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide?
The InChIKey is XVLDZBVHFGOSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-6(9(12)13-16)5-14(2)10(15)7-3-4-17-8(7)11/h3-4,6,16H,5H2,1-2H3,(H2,12,13).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide has a molecular weight of 304.14 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106855764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).