4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide

C24H33N3O4 — CID 145467108

IUPAC4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide
SMILESCC1CC(N(C)CCCC(=O)NCCOc2ccc(-c3cccnc3)cc2)CC(O)O1
InChIInChI=1S/C24H33N3O4/c1-18-15-21(16-24(29)31-18)27(2)13-4-6-23(28)26-12-14-30-22-9-7-19(8-10-22)20-5-3-11-25-17-20/h3,5,7-11,17-18,21,24,29H,4,6,12-16H2,1-2H3,(H,26,28)
InChIKeyOSGIIFVDGOZNQY-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.84
Rot. Bonds10

About 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide

4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide (PubChem CID 145467108) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide
PubChem CID145467108
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide
SMILESCC1CC(N(C)CCCC(=O)NCCOc2ccc(-c3cccnc3)cc2)CC(O)O1
InChIInChI=1S/C24H33N3O4/c1-18-15-21(16-24(29)31-18)27(2)13-4-6-23(28)26-12-14-30-22-9-7-19(8-10-22)20-5-3-11-25-17-20/h3,5,7-11,17-18,21,24,29H,4,6,12-16H2,1-2H3,(H,26,28)
InChIKeyOSGIIFVDGOZNQY-UHFFFAOYSA-N
XLogP2.84
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469483
N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide
CID 10195272
3-[[(2R,3R,4S,6R)-3-hydroxy-2-(iodomethyl)-6-methyloxan-4-yl]-methylamino]-N-[3-[4-(1-hydroxy-6-methylpyridin-1-ium-3-yl)phenoxy]propyl]propanamide
CID 145467012
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858349
3-(4-octoxyphenyl)pyridine
CID 90176946
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
1-[(1S,3R)-3-(dimethylamino)cyclohexyl]-3-(2-pyridin-3-yloxyethyl)urea
CID 97060602
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052481

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide?
The IUPAC name of 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide (CID 145467108) is 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide.
What is the SMILES notation for 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide?
The canonical SMILES for 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide is CC1CC(N(C)CCCC(=O)NCCOc2ccc(-c3cccnc3)cc2)CC(O)O1.
What is the InChIKey of 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide?
The InChIKey is OSGIIFVDGOZNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-18-15-21(16-24(29)31-18)27(2)13-4-6-23(28)26-12-14-30-22-9-7-19(8-10-22)20-5-3-11-25-17-20/h3,5,7-11,17-18,21,24,29H,4,6,12-16H2,1-2H3,(H,26,28).
What are the key properties of 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide?
4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide has a molecular weight of 427.55 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide is sourced from PubChem (CID 145467108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).