N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide

C12H24N2O2 — CID 57167898

IUPACN-(azepan-4-yl)-N-hydroxy-4-methylpentanamide
SMILESCC(C)CCC(=O)N(O)C1CCCNCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-6-12(15)14(16)11-4-3-8-13-9-7-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyKSZRXVYVHMHLQX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.78
Rot. Bonds4

About N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide

N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide (PubChem CID 57167898) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-hydroxy-4-methylpentanamide
PubChem CID57167898
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(azepan-4-yl)-N-hydroxy-4-methylpentanamide
SMILESCC(C)CCC(=O)N(O)C1CCCNCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)5-6-12(15)14(16)11-4-3-8-13-9-7-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyKSZRXVYVHMHLQX-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(azepan-4-yl)-N-hydroxy-4-methylpentanamide?
The IUPAC name of N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide (CID 57167898) is N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide?
The canonical SMILES for N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide is CC(C)CCC(=O)N(O)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide?
The InChIKey is KSZRXVYVHMHLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)5-6-12(15)14(16)11-4-3-8-13-9-7-11/h10-11,13,16H,3-9H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide?
N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 57167898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).