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

C24H27N3O4 — CID 176892863

IUPAC4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1ccc(-c2ccc(CC(O)NCc3ccccc3)nc2)cc1)NO
InChIInChI=1S/C24H27N3O4/c28-23(27-30)7-4-14-31-22-12-9-19(10-13-22)20-8-11-21(25-17-20)15-24(29)26-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,24,26,29-30H,4,7,14-16H2,(H,27,28)
InChIKeyYOMJBCQQSBUFGR-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.06
Rot. Bonds11

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

4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide (PubChem CID 176892863) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide
PubChem CID176892863
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide
SMILESO=C(CCCOc1ccc(-c2ccc(CC(O)NCc3ccccc3)nc2)cc1)NO
InChIInChI=1S/C24H27N3O4/c28-23(27-30)7-4-14-31-22-12-9-19(10-13-22)20-8-11-21(25-17-20)15-24(29)26-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,24,26,29-30H,4,7,14-16H2,(H,27,28)
InChIKeyYOMJBCQQSBUFGR-UHFFFAOYSA-N
XLogP3.06
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.06
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

8-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxyoctanamide
CID 176892883
methyl 4-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]phenoxy]butanoate
CID 176892869
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide
CID 24772014
5-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]anilino]-5-oxopentanoic acid
CID 176892887
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
N-benzyl-2-[5-[4-[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 155925939
1-phenyl-2-(5-phenyl-2-pyridinyl)ethanol
CID 144927462
7-(4-cyclohexa-1,5-dien-3-yn-1-ylphenoxy)-N-hydroxyheptanamide
CID 142086769

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide?
The IUPAC name of 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide (CID 176892863) is 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide?
The canonical SMILES for 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide is O=C(CCCOc1ccc(-c2ccc(CC(O)NCc3ccccc3)nc2)cc1)NO.
What is the InChIKey of 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide?
The InChIKey is YOMJBCQQSBUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-23(27-30)7-4-14-31-22-12-9-19(10-13-22)20-8-11-21(25-17-20)15-24(29)26-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,17,24,26,29-30H,4,7,14-16H2,(H,27,28).
What are the key properties of 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide?
4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide has a molecular weight of 421.50 g/mol, XLogP of 3.06, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[2-(benzylamino)-2-hydroxyethyl]-3-pyridinyl]phenoxy]-N-hydroxybutanamide is sourced from PubChem (CID 176892863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).