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

C25H24N4O4 — CID 162651320

IUPACN-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@H](Cn1cc(-c2ccccc2)nn1)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C25H24N4O4/c30-25(27-31)18-33-24(16-29-15-23(26-28-29)20-9-5-2-6-10-20)21-11-13-22(14-12-21)32-17-19-7-3-1-4-8-19/h1-15,24,31H,16-18H2,(H,27,30)/t24-/m1/s1
InChIKeyCJKWHSNYUZMEPT-XMMPIXPASA-N
MW444.49 g/mol
LogP3.79
Rot. Bonds10

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

N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide (PubChem CID 162651320) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
PubChem CID162651320
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@H](Cn1cc(-c2ccccc2)nn1)c1ccc(OCc2ccccc2)cc1)NO
InChIInChI=1S/C25H24N4O4/c30-25(27-31)18-33-24(16-29-15-23(26-28-29)20-9-5-2-6-10-20)21-11-13-22(14-12-21)32-17-19-7-3-1-4-8-19/h1-15,24,31H,16-18H2,(H,27,30)/t24-/m1/s1
InChIKeyCJKWHSNYUZMEPT-XMMPIXPASA-N
XLogP3.79
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.79
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'}

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Related Compounds

N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide
CID 25068486
2-(4-methoxyphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 46885819
6-[4-[4-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]methyl]phenyl]triazol-1-yl]-N-hydroxyhexanamide
CID 71765043
2-(2-fluorophenoxy)-1-(3-(4-phenyl-1H-1,2,3-triazol-1-yl)azetidin-1-yl)ethanone
CID 86264994
N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
CID 162651349
N-hydroxy-2-[(1S)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
CID 162664215
N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(triazol-1-yl)ethoxy]acetamide
CID 162669421
2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
CID 3257465
2-(4-methoxyphenoxy)-N-{4-[5-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}acetamide
CID 3511179
2-phenoxy-N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]propanamide
CID 4652479
2-phenoxy-1-[(S)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-1-pyrrolidinyl]-1-ethanone
CID 99986488
8-[2-(4-Phenyltriazol-1-yl)acetyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione
CID 134941654

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
The IUPAC name of N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide (CID 162651320) is N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide is O=C(CO[C@H](Cn1cc(-c2ccccc2)nn1)c1ccc(OCc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
The InChIKey is CJKWHSNYUZMEPT-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N4O4/c30-25(27-31)18-33-24(16-29-15-23(26-28-29)20-9-5-2-6-10-20)21-11-13-22(14-12-21)32-17-19-7-3-1-4-8-19/h1-15,24,31H,16-18H2,(H,27,30)/t24-/m1/s1.
What are the key properties of N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide has a molecular weight of 444.49 g/mol, XLogP of 3.79, 10 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-(4-phenyltriazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 162651320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).