N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide

C15H19N3O3 — CID 76987605

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)C(C)CC(N)=NO)cc2c1
InChIInChI=1S/C15H19N3O3/c1-9-4-5-12-11(6-9)8-13(21-12)15(19)18(3)10(2)7-14(16)17-20/h4-6,8,10,20H,7H2,1-3H3,(H2,16,17)
InChIKeyHLBNAZYNOVSDLG-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.34
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 76987605) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID76987605
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)C(C)CC(N)=NO)cc2c1
InChIInChI=1S/C15H19N3O3/c1-9-4-5-12-11(6-9)8-13(21-12)15(19)18(3)10(2)7-14(16)17-20/h4-6,8,10,20H,7H2,1-3H3,(H2,16,17)
InChIKeyHLBNAZYNOVSDLG-UHFFFAOYSA-N
XLogP2.34
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.34
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'}

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Related Compounds

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 76987759
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 62627105
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113489
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-hydroxy-N-methylbenzamide
CID 76987839
3,4,4-trimethyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808081

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide (CID 76987605) is N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(C)C(C)CC(N)=NO)cc2c1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is HLBNAZYNOVSDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-4-5-12-11(6-9)8-13(21-12)15(19)18(3)10(2)7-14(16)17-20/h4-6,8,10,20H,7H2,1-3H3,(H2,16,17).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 76987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).