N'-hydroxy-N-(2-phenylethyl)pentanediamide

C13H18N2O3 — CID 72734543

IUPACN'-hydroxy-N-(2-phenylethyl)pentanediamide
SMILESO=C(CCCC(=O)NCCc1ccccc1)NO
InChIInChI=1S/C13H18N2O3/c16-12(7-4-8-13(17)15-18)14-10-9-11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2,(H,14,16)(H,15,17)
InChIKeyMNMBNWINDLRVJD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.02
Rot. Bonds7

About N'-hydroxy-N-(2-phenylethyl)pentanediamide

N'-hydroxy-N-(2-phenylethyl)pentanediamide (PubChem CID 72734543) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-N-(2-phenylethyl)pentanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-phenylethyl)pentanediamide
PubChem CID72734543
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-N-(2-phenylethyl)pentanediamide
SMILESO=C(CCCC(=O)NCCc1ccccc1)NO
InChIInChI=1S/C13H18N2O3/c16-12(7-4-8-13(17)15-18)14-10-9-11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2,(H,14,16)(H,15,17)
InChIKeyMNMBNWINDLRVJD-UHFFFAOYSA-N
XLogP1.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
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'-hydroxy-N-(2-phenylethyl)pentanediamide?
The IUPAC name of N'-hydroxy-N-(2-phenylethyl)pentanediamide (CID 72734543) is N'-hydroxy-N-(2-phenylethyl)pentanediamide.
What is the SMILES notation for N'-hydroxy-N-(2-phenylethyl)pentanediamide?
The canonical SMILES for N'-hydroxy-N-(2-phenylethyl)pentanediamide is O=C(CCCC(=O)NCCc1ccccc1)NO.
What is the InChIKey of N'-hydroxy-N-(2-phenylethyl)pentanediamide?
The InChIKey is MNMBNWINDLRVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(7-4-8-13(17)15-18)14-10-9-11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2,(H,14,16)(H,15,17).
What are the key properties of N'-hydroxy-N-(2-phenylethyl)pentanediamide?
N'-hydroxy-N-(2-phenylethyl)pentanediamide has a molecular weight of 250.30 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-phenylethyl)pentanediamide is sourced from PubChem (CID 72734543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).