N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide

C18H22N2O3 — CID 154783813

IUPACN-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide
SMILESCc1ccc(NC(=O)C(Oc2ccccc2)C(C)(C)O)c(C)n1
InChIInChI=1S/C18H22N2O3/c1-12-10-11-15(13(2)19-12)20-17(21)16(18(3,4)22)23-14-8-6-5-7-9-14/h5-11,16,22H,1-4H3,(H,20,21)
InChIKeyZZTOSWRHKCMFSJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.86
Rot. Bonds5

About N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide

N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide (PubChem CID 154783813) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide
PubChem CID154783813
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide
SMILESCc1ccc(NC(=O)C(Oc2ccccc2)C(C)(C)O)c(C)n1
InChIInChI=1S/C18H22N2O3/c1-12-10-11-15(13(2)19-12)20-17(21)16(18(3,4)22)23-14-8-6-5-7-9-14/h5-11,16,22H,1-4H3,(H,20,21)
InChIKeyZZTOSWRHKCMFSJ-UHFFFAOYSA-N
XLogP2.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide
CID 99616588
(2R)-N-(6-methyl-2-pyridinyl)-2-phenoxypropanamide
CID 836214
1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702199
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387
3,3-dimethyl-N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenoxybutanamide
CID 136951012
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
CID 115748753
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
2-methyl-N-(2-methylquinolin-5-yl)-2-phenoxypropanamide
CID 30308944
N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide
CID 4523660

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide (CID 154783813) is N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide is Cc1ccc(NC(=O)C(Oc2ccccc2)C(C)(C)O)c(C)n1.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide?
The InChIKey is ZZTOSWRHKCMFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-10-11-15(13(2)19-12)20-17(21)16(18(3,4)22)23-14-8-6-5-7-9-14/h5-11,16,22H,1-4H3,(H,20,21).
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide?
N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide has a molecular weight of 314.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-3-hydroxy-3-methyl-2-phenoxybutanamide is sourced from PubChem (CID 154783813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).