N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide

C24H31N3O4 — CID 10884408

IUPACN-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)NO
InChIInChI=1S/C24H31N3O4/c28-22(15-9-1-2-10-16-23(29)27-31)26-21(17-19-11-5-3-6-12-19)24(30)25-18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,1-2,9-10,15-18H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1
InChIKeyMKDFASUORSAQOG-NRFANRHFSA-N
MW425.53 g/mol
LogP2.88
Rot. Bonds13

About N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide

N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide (PubChem CID 10884408) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
PubChem CID10884408
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)NO
InChIInChI=1S/C24H31N3O4/c28-22(15-9-1-2-10-16-23(29)27-31)26-21(17-19-11-5-3-6-12-19)24(30)25-18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,1-2,9-10,15-18H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1
InChIKeyMKDFASUORSAQOG-NRFANRHFSA-N
XLogP2.88
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide (CID 10884408) is N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)NO.
What is the InChIKey of N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide?
The InChIKey is MKDFASUORSAQOG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O4/c28-22(15-9-1-2-10-16-23(29)27-31)26-21(17-19-11-5-3-6-12-19)24(30)25-18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,1-2,9-10,15-18H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide?
N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide has a molecular weight of 425.53 g/mol, XLogP of 2.88, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 10884408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).