(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide

C22H28N2O5 — CID 25065102

IUPAC(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide
SMILESCOc1ccc(CO[C@@H](CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O5/c1-28-19-14-12-17(13-15-19)16-29-20(10-6-3-7-11-21(25)24-27)22(26)23-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20,27H,3,6-7,10-11,16H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyFQAZXPMITHVSOG-FQEVSTJZSA-N
MW400.48 g/mol
LogP3.67
Rot. Bonds12

About (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide

(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide (PubChem CID 25065102) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide
PubChem CID25065102
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide
SMILESCOc1ccc(CO[C@@H](CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O5/c1-28-19-14-12-17(13-15-19)16-29-20(10-6-3-7-11-21(25)24-27)22(26)23-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20,27H,3,6-7,10-11,16H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyFQAZXPMITHVSOG-FQEVSTJZSA-N
XLogP3.67
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide?
The IUPAC name of (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide (CID 25065102) is (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide?
The canonical SMILES for (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide is COc1ccc(CO[C@@H](CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide?
The InChIKey is FQAZXPMITHVSOG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-28-19-14-12-17(13-15-19)16-29-20(10-6-3-7-11-21(25)24-27)22(26)23-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20,27H,3,6-7,10-11,16H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide?
(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide has a molecular weight of 400.48 g/mol, XLogP of 3.67, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide is sourced from PubChem (CID 25065102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).