3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate

C19H22N2O3 — CID 78804341

IUPAC3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCCCc2cccc(C)n2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-5-3-6-17(20-14)7-4-12-24-19(23)13-16-8-10-18(11-9-16)21-15(2)22/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,21,22)
InChIKeyKOCUZQRUONGADS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.07
Rot. Bonds7

About 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate

3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate (PubChem CID 78804341) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate
PubChem CID78804341
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCCCc2cccc(C)n2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-5-3-6-17(20-14)7-4-12-24-19(23)13-16-8-10-18(11-9-16)21-15(2)22/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,21,22)
InChIKeyKOCUZQRUONGADS-UHFFFAOYSA-N
XLogP3.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610737
3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate
CID 86977764
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 78769337
cyanomethyl 2-(4-acetamidophenyl)acetate
CID 8608142
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610773
methyl 4-[3-[3-(6-methyl-2-pyridinyl)propoxy]-3-oxoprop-1-enyl]benzoate
CID 76856623
3-(6-methyl-2-pyridinyl)propyl 4-(difluoromethoxy)benzoate
CID 78840516
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate (CID 78804341) is 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCCCc2cccc(C)n2)cc1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate?
The InChIKey is KOCUZQRUONGADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-3-6-17(20-14)7-4-12-24-19(23)13-16-8-10-18(11-9-16)21-15(2)22/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate?
3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate has a molecular weight of 326.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)propyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 78804341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).