3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide

C18H22N2O3 — CID 110026013

IUPAC3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(O)(CC(=O)N(CCO)Cc1cccnc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-18(23,16-7-3-2-4-8-16)12-17(22)20(10-11-21)14-15-6-5-9-19-13-15/h2-9,13,21,23H,10-12,14H2,1H3
InChIKeyRJRWDHBBEBKHRH-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.70
Rot. Bonds7

About 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide

3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110026013) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110026013
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(O)(CC(=O)N(CCO)Cc1cccnc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-18(23,16-7-3-2-4-8-16)12-17(22)20(10-11-21)14-15-6-5-9-19-13-15/h2-9,13,21,23H,10-12,14H2,1H3
InChIKeyRJRWDHBBEBKHRH-UHFFFAOYSA-N
XLogP1.70
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068839
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135089433
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate
CID 175234972

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide (CID 110026013) is 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide is CC(O)(CC(=O)N(CCO)Cc1cccnc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is RJRWDHBBEBKHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(23,16-7-3-2-4-8-16)12-17(22)20(10-11-21)14-15-6-5-9-19-13-15/h2-9,13,21,23H,10-12,14H2,1H3.
What are the key properties of 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide?
3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 314.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxyethyl)-3-phenyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110026013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).