N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide

C14H27N3O3 — CID 5273837

IUPACN-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide
SMILESCCC(C)C(NC(=O)NO)C(=O)NCC1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-3-10(2)12(16-14(19)17-20)13(18)15-9-11-7-5-4-6-8-11/h10-12,20H,3-9H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyFBEDEEXWNRWEIJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.79
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide

N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide (PubChem CID 5273837) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide
PubChem CID5273837
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide
SMILESCCC(C)C(NC(=O)NO)C(=O)NCC1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-3-10(2)12(16-14(19)17-20)13(18)15-9-11-7-5-4-6-8-11/h10-12,20H,3-9H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyFBEDEEXWNRWEIJ-UHFFFAOYSA-N
XLogP1.79
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.79
H-Bond Donors ≤ 54
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'}

Analyze N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide (CID 5273837) is N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide is CCC(C)C(NC(=O)NO)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide?
The InChIKey is FBEDEEXWNRWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-10(2)12(16-14(19)17-20)13(18)15-9-11-7-5-4-6-8-11/h10-12,20H,3-9H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide?
N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide has a molecular weight of 285.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methylpentanamide is sourced from PubChem (CID 5273837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).