2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide

C18H22N2O2 — CID 59745003

IUPAC2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(CCCC(O)c2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-18(22)13-15-7-5-14(6-8-15)3-2-4-17(21)16-9-11-20-12-10-16/h5-12,17,21H,2-4,13H2,1H3,(H,19,22)
InChIKeyBQQJZROMMOWURO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.43
Rot. Bonds7

About 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide

2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide (PubChem CID 59745003) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide
PubChem CID59745003
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(CCCC(O)c2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-18(22)13-15-7-5-14(6-8-15)3-2-4-17(21)16-9-11-20-12-10-16/h5-12,17,21H,2-4,13H2,1H3,(H,19,22)
InChIKeyBQQJZROMMOWURO-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]acetamide
CID 59745040
N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
CID 39801868
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
3-(4-ethylphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
CID 71911698
1-hydroxy-3-[4-(1-hydroxy-4-phenylbutyl)phenyl]propan-2-one
CID 159570078
1-pyridin-4-yltridecan-1-ol
CID 63410309
methyl 2-amino-5-pyridin-4-ylpentanoate
CID 116851646
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
N-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide (CID 59745003) is 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(CCCC(O)c2ccncc2)cc1.
What is the InChIKey of 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide?
The InChIKey is BQQJZROMMOWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-18(22)13-15-7-5-14(6-8-15)3-2-4-17(21)16-9-11-20-12-10-16/h5-12,17,21H,2-4,13H2,1H3,(H,19,22).
What are the key properties of 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide?
2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 59745003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).