2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide

C15H23N3O4 — CID 142881700

IUPAC2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide
SMILESCCCCC(CN(O)C=O)C(=O)NCC(=O)c1cccn1C
InChIInChI=1S/C15H23N3O4/c1-3-4-6-12(10-18(22)11-19)15(21)16-9-14(20)13-7-5-8-17(13)2/h5,7-8,11-12,22H,3-4,6,9-10H2,1-2H3,(H,16,21)
InChIKeyUCWOIHMCJQPFFR-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.98
Rot. Bonds10

About 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide

2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide (PubChem CID 142881700) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide
PubChem CID142881700
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide
SMILESCCCCC(CN(O)C=O)C(=O)NCC(=O)c1cccn1C
InChIInChI=1S/C15H23N3O4/c1-3-4-6-12(10-18(22)11-19)15(21)16-9-14(20)13-7-5-8-17(13)2/h5,7-8,11-12,22H,3-4,6,9-10H2,1-2H3,(H,16,21)
InChIKeyUCWOIHMCJQPFFR-UHFFFAOYSA-N
XLogP0.98
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide?
The IUPAC name of 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide (CID 142881700) is 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide.
What is the SMILES notation for 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide?
The canonical SMILES for 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide is CCCCC(CN(O)C=O)C(=O)NCC(=O)c1cccn1C.
What is the InChIKey of 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide?
The InChIKey is UCWOIHMCJQPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-4-6-12(10-18(22)11-19)15(21)16-9-14(20)13-7-5-8-17(13)2/h5,7-8,11-12,22H,3-4,6,9-10H2,1-2H3,(H,16,21).
What are the key properties of 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide?
2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide has a molecular weight of 309.37 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[formyl(hydroxy)amino]methyl]-N-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]hexanamide is sourced from PubChem (CID 142881700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).