N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide

C19H20N4O4 — CID 162669421

IUPACN-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@H](Cn1ccnn1)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C19H20N4O4/c24-19(21-25)14-27-18(12-23-11-10-20-22-23)16-6-8-17(9-7-16)26-13-15-4-2-1-3-5-15/h1-11,18,25H,12-14H2,(H,21,24)/t18-/m1/s1
InChIKeyMZRUFFTYHXMKHY-GOSISDBHSA-N
MW368.39 g/mol
LogP2.12
Rot. Bonds9

About N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide

N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide (PubChem CID 162669421) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide
PubChem CID162669421
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@H](Cn1ccnn1)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C19H20N4O4/c24-19(21-25)14-27-18(12-23-11-10-20-22-23)16-6-8-17(9-7-16)26-13-15-4-2-1-3-5-15/h1-11,18,25H,12-14H2,(H,21,24)/t18-/m1/s1
InChIKeyMZRUFFTYHXMKHY-GOSISDBHSA-N
XLogP2.12
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide 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-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide?
The IUPAC name of N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide (CID 162669421) is N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide is O=C(CO[C@H](Cn1ccnn1)c1ccc(OCc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide?
The InChIKey is MZRUFFTYHXMKHY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-19(21-25)14-27-18(12-23-11-10-20-22-23)16-6-8-17(9-7-16)26-13-15-4-2-1-3-5-15/h1-11,18,25H,12-14H2,(H,21,24)/t18-/m1/s1.
What are the key properties of N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide?
N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 162669421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).