8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide

C28H35N3O4 — CID 176892883

IUPAC8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide
SMILESO=C(CCCCCCCOc1ccc(-c2ccc(CC(O)NCc3ccccc3)nc2)cc1)NO
InChIInChI=1S/C28H35N3O4/c32-27(31-34)11-7-2-1-3-8-18-35-26-16-13-23(14-17-26)24-12-15-25(29-21-24)19-28(33)30-20-22-9-5-4-6-10-22/h4-6,9-10,12-17,21,28,30,33-34H,1-3,7-8,11,18-20H2,(H,31,32)
InChIKeyRWYIKQMPROBMCP-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.62
Rot. Bonds15

About 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide

8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide (PubChem CID 176892883) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide.

Molecular Properties

Compound Name8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide
PubChem CID176892883
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide
SMILESO=C(CCCCCCCOc1ccc(-c2ccc(CC(O)NCc3ccccc3)nc2)cc1)NO
InChIInChI=1S/C28H35N3O4/c32-27(31-34)11-7-2-1-3-8-18-35-26-16-13-23(14-17-26)24-12-15-25(29-21-24)19-28(33)30-20-22-9-5-4-6-10-22/h4-6,9-10,12-17,21,28,30,33-34H,1-3,7-8,11,18-20H2,(H,31,32)
InChIKeyRWYIKQMPROBMCP-UHFFFAOYSA-N
XLogP4.62
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide
CID 176892863
methyl 4-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]phenoxy]butanoate
CID 176892869
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
7-(4-cyclohexa-1,5-dien-3-yn-1-ylphenoxy)-N-hydroxyheptanamide
CID 142086769
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
CID 46872843
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
11-phenoxy-N-(1-phenyl-3-sulfanylpropan-2-yl)undecanamide
CID 18466550
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
azane;N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide;platinum(2+);dichloride
CID 46873182
5-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]anilino]-5-oxopentanoic acid
CID 176892887

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide?
The IUPAC name of 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide (CID 176892883) is 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide.
What is the SMILES notation for 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide?
The canonical SMILES for 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide is O=C(CCCCCCCOc1ccc(-c2ccc(CC(O)NCc3ccccc3)nc2)cc1)NO.
What is the InChIKey of 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide?
The InChIKey is RWYIKQMPROBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c32-27(31-34)11-7-2-1-3-8-18-35-26-16-13-23(14-17-26)24-12-15-25(29-21-24)19-28(33)30-20-22-9-5-4-6-10-22/h4-6,9-10,12-17,21,28,30,33-34H,1-3,7-8,11,18-20H2,(H,31,32).
What are the key properties of 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide?
8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide has a molecular weight of 477.61 g/mol, XLogP of 4.62, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide is sourced from PubChem (CID 176892883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).