N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide

C15H17N3O3 — CID 76938578

IUPACN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CC(N)=NO)cc2)c(C)o1
InChIInChI=1S/C15H17N3O3/c1-9-7-13(10(2)21-9)15(19)17-12-5-3-11(4-6-12)8-14(16)18-20/h3-7,20H,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHXFNWWRZRCKAIO-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.44
Rot. Bonds4

About N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide

N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 76938578) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID76938578
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CC(N)=NO)cc2)c(C)o1
InChIInChI=1S/C15H17N3O3/c1-9-7-13(10(2)21-9)15(19)17-12-5-3-11(4-6-12)8-14(16)18-20/h3-7,20H,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHXFNWWRZRCKAIO-UHFFFAOYSA-N
XLogP2.44
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.44
H-Bond Donors ≤ 53
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-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 76938619
propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
CID 55057847
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
[4-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl] thiocyanate
CID 16648737
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338349
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
CID 113374820
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]thiadiazole-5-carboxamide
CID 77060431
2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 27702222
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
CID 24557435
N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
CID 65431807

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide (CID 76938578) is N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(CC(N)=NO)cc2)c(C)o1.
What is the InChIKey of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HXFNWWRZRCKAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-13(10(2)21-9)15(19)17-12-5-3-11(4-6-12)8-14(16)18-20/h3-7,20H,8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 76938578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).