N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

C18H20N2O3 — CID 56702872

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)(CO)N(Cc1cccnc1)C(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-18(2,13-21)20(12-14-7-6-10-19-11-14)17(23)16(22)15-8-4-3-5-9-15/h3-11,21H,12-13H2,1-2H3
InChIKeyLJIYPTRFGURGFX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.06
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 56702872) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID56702872
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)(CO)N(Cc1cccnc1)C(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-18(2,13-21)20(12-14-7-6-10-19-11-14)17(23)16(22)15-8-4-3-5-9-15/h3-11,21H,12-13H2,1-2H3
InChIKeyLJIYPTRFGURGFX-UHFFFAOYSA-N
XLogP2.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
2-[tert-butyl(pyridin-3-ylmethyl)amino]acetic acid
CID 79269104
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
[(2S)-2-amino-3-pyridin-3-ylpropyl]-tert-butylcarbamic acid
CID 69010862
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
methyl 5-[tert-butyl(pyridin-3-ylmethyl)carbamoyl]furan-2-carboxylate
CID 99839959
3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110026013
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (CID 56702872) is N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is CC(C)(CO)N(Cc1cccnc1)C(=O)C(=O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is LJIYPTRFGURGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,13-21)20(12-14-7-6-10-19-11-14)17(23)16(22)15-8-4-3-5-9-15/h3-11,21H,12-13H2,1-2H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 56702872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).