N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide

C13H20N2O3 — CID 16721024

IUPACN-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide
SMILESCCC(C)C(NOCc1ccccc1)C(=O)NO
InChIInChI=1S/C13H20N2O3/c1-3-10(2)12(13(16)14-17)15-18-9-11-7-5-4-6-8-11/h4-8,10,12,15,17H,3,9H2,1-2H3,(H,14,16)
InChIKeyOISVGEVVTLNTBZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.63
Rot. Bonds7

About N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide

N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide (PubChem CID 16721024) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide
PubChem CID16721024
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide
SMILESCCC(C)C(NOCc1ccccc1)C(=O)NO
InChIInChI=1S/C13H20N2O3/c1-3-10(2)12(13(16)14-17)15-18-9-11-7-5-4-6-8-11/h4-8,10,12,15,17H,3,9H2,1-2H3,(H,14,16)
InChIKeyOISVGEVVTLNTBZ-UHFFFAOYSA-N
XLogP1.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.63
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-3-methyl-2-(phenylmethoxyamino)pentanamide?
The IUPAC name of N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide (CID 16721024) is N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide?
The canonical SMILES for N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide is CCC(C)C(NOCc1ccccc1)C(=O)NO.
What is the InChIKey of N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide?
The InChIKey is OISVGEVVTLNTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-10(2)12(13(16)14-17)15-18-9-11-7-5-4-6-8-11/h4-8,10,12,15,17H,3,9H2,1-2H3,(H,14,16).
What are the key properties of N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide?
N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide has a molecular weight of 252.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-(phenylmethoxyamino)pentanamide is sourced from PubChem (CID 16721024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).