N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide

C16H19N3O4 — CID 10495686

IUPACN-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide
SMILESCC(c1ccc(CC(=O)NCc2ccccc2)o1)N(O)C(N)=O
InChIInChI=1S/C16H19N3O4/c1-11(19(22)16(17)21)14-8-7-13(23-14)9-15(20)18-10-12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3,(H2,17,21)(H,18,20)
InChIKeyABUXVEJMBFYGNK-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.97
Rot. Bonds6

About N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide

N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide (PubChem CID 10495686) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide
PubChem CID10495686
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide
SMILESCC(c1ccc(CC(=O)NCc2ccccc2)o1)N(O)C(N)=O
InChIInChI=1S/C16H19N3O4/c1-11(19(22)16(17)21)14-8-7-13(23-14)9-15(20)18-10-12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3,(H2,17,21)(H,18,20)
InChIKeyABUXVEJMBFYGNK-UHFFFAOYSA-N
XLogP1.97
TPSA108.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide (CID 10495686) is N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide is CC(c1ccc(CC(=O)NCc2ccccc2)o1)N(O)C(N)=O.
What is the InChIKey of N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide?
The InChIKey is ABUXVEJMBFYGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11(19(22)16(17)21)14-8-7-13(23-14)9-15(20)18-10-12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide?
N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide has a molecular weight of 317.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-yl]acetamide is sourced from PubChem (CID 10495686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).