N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide

C10H21N3O2 — CID 18340749

IUPACN-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide
SMILESCNC1(CC(=O)NO)CCCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(8-9(14)12-15)4-3-6-13(2)7-5-10/h11,15H,3-8H2,1-2H3,(H,12,14)
InChIKeyFSZKSPXEUNDJJO-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.04
Rot. Bonds3

About N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide

N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide (PubChem CID 18340749) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide
PubChem CID18340749
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide
SMILESCNC1(CC(=O)NO)CCCN(C)CC1
InChIInChI=1S/C10H21N3O2/c1-11-10(8-9(14)12-15)4-3-6-13(2)7-5-10/h11,15H,3-8H2,1-2H3,(H,12,14)
InChIKeyFSZKSPXEUNDJJO-UHFFFAOYSA-N
XLogP-0.04
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.04
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-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide?
The IUPAC name of N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide (CID 18340749) is N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide is CNC1(CC(=O)NO)CCCN(C)CC1.
What is the InChIKey of N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide?
The InChIKey is FSZKSPXEUNDJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-11-10(8-9(14)12-15)4-3-6-13(2)7-5-10/h11,15H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide?
N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide has a molecular weight of 215.30 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-methyl-4-(methylamino)azepan-4-yl]acetamide is sourced from PubChem (CID 18340749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).