1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone

C16H18N2O2 — CID 82101894

IUPAC1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCCOc1ccc(C(=O)CNCc2ccccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)12-17-11-14-5-3-4-10-18-14/h3-10,17H,2,11-12H2,1H3
InChIKeyPRCKGJPVVFXOEW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.45
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone

1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone (PubChem CID 82101894) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
PubChem CID82101894
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCCOc1ccc(C(=O)CNCc2ccccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)12-17-11-14-5-3-4-10-18-14/h3-10,17H,2,11-12H2,1H3
InChIKeyPRCKGJPVVFXOEW-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101225
1-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101747
1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101270
1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 94274466
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101873
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258753
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
1-(4-methylphenyl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 94270980
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone (CID 82101894) is 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone is CCOc1ccc(C(=O)CNCc2ccccn2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The InChIKey is PRCKGJPVVFXOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)12-17-11-14-5-3-4-10-18-14/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone is sourced from PubChem (CID 82101894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).