(2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide

C18H21N3O4 — CID 24901608

IUPAC(2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide
SMILESN[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O4/c19-16(18(23)21-24)10-11-17(22)20-14-6-8-15(9-7-14)25-12-13-4-2-1-3-5-13/h1-9,16,24H,10-12,19H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyLGHRQKLEHUUUHD-INIZCTEOSA-N
MW343.38 g/mol
LogP1.82
Rot. Bonds8

About (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide

(2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide (PubChem CID 24901608) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide
PubChem CID24901608
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide
SMILESN[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O4/c19-16(18(23)21-24)10-11-17(22)20-14-6-8-15(9-7-14)25-12-13-4-2-1-3-5-13/h1-9,16,24H,10-12,19H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyLGHRQKLEHUUUHD-INIZCTEOSA-N
XLogP1.82
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide (CID 24901608) is (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide is N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide?
The InChIKey is LGHRQKLEHUUUHD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O4/c19-16(18(23)21-24)10-11-17(22)20-14-6-8-15(9-7-14)25-12-13-4-2-1-3-5-13/h1-9,16,24H,10-12,19H2,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide?
(2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide has a molecular weight of 343.38 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hydroxy-N'-(4-phenylmethoxyphenyl)pentanediamide is sourced from PubChem (CID 24901608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).