4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide

C23H32N2O3 — CID 166237555

IUPAC4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide
SMILESCc1cc(C(C)(C)C)ccc1OCCCC(=O)NC(CO)Cc1cccnc1
InChIInChI=1S/C23H32N2O3/c1-17-13-19(23(2,3)4)9-10-21(17)28-12-6-8-22(27)25-20(16-26)14-18-7-5-11-24-15-18/h5,7,9-11,13,15,20,26H,6,8,12,14,16H2,1-4H3,(H,25,27)
InChIKeyYPNJVRGBMFAHIW-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.57
Rot. Bonds9

About 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide

4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide (PubChem CID 166237555) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide
PubChem CID166237555
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide
SMILESCc1cc(C(C)(C)C)ccc1OCCCC(=O)NC(CO)Cc1cccnc1
InChIInChI=1S/C23H32N2O3/c1-17-13-19(23(2,3)4)9-10-21(17)28-12-6-8-22(27)25-20(16-26)14-18-7-5-11-24-15-18/h5,7,9-11,13,15,20,26H,6,8,12,14,16H2,1-4H3,(H,25,27)
InChIKeyYPNJVRGBMFAHIW-UHFFFAOYSA-N
XLogP3.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide
CID 5001654
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide
CID 99780561
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
1-tert-butyl-3-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)thiourea
CID 11425630
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 6028022
3-hydroxy-2-(4-pyridin-3-yloxybutanoylamino)propanoic acid
CID 110486969
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide?
The IUPAC name of 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide (CID 166237555) is 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide is Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC(CO)Cc1cccnc1.
What is the InChIKey of 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide?
The InChIKey is YPNJVRGBMFAHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-13-19(23(2,3)4)9-10-21(17)28-12-6-8-22(27)25-20(16-26)14-18-7-5-11-24-15-18/h5,7,9-11,13,15,20,26H,6,8,12,14,16H2,1-4H3,(H,25,27).
What are the key properties of 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide?
4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide has a molecular weight of 384.52 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide is sourced from PubChem (CID 166237555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).