2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide

C17H20N2O2 — CID 110400247

IUPAC2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-16-8-6-14(7-9-16)12-17(20)19-11-3-5-15-4-2-10-18-13-15/h2,4,6-10,13H,3,5,11-12H2,1H3,(H,19,20)
InChIKeyDXXQYRFLUOUQGC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.38
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide

2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide (PubChem CID 110400247) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
PubChem CID110400247
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-16-8-6-14(7-9-16)12-17(20)19-11-3-5-15-4-2-10-18-13-15/h2,4,6-10,13H,3,5,11-12H2,1H3,(H,19,20)
InChIKeyDXXQYRFLUOUQGC-UHFFFAOYSA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide
CID 110408542
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-pyridin-3-ylpropyl)propanamide
CID 110607149
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide (CID 110400247) is 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide is COc1ccc(CC(=O)NCCCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide?
The InChIKey is DXXQYRFLUOUQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-8-6-14(7-9-16)12-17(20)19-11-3-5-15-4-2-10-18-13-15/h2,4,6-10,13H,3,5,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide?
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide is sourced from PubChem (CID 110400247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).