N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide

C19H22N2O2 — CID 50956097

IUPACN-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide
SMILESC=CCN(Cc1cccc(OCC)c1)C(=O)Cc1ccccn1
InChIInChI=1S/C19H22N2O2/c1-3-12-21(19(22)14-17-9-5-6-11-20-17)15-16-8-7-10-18(13-16)23-4-2/h3,5-11,13H,1,4,12,14-15H2,2H3
InChIKeyQPUYDSAJYHWNLY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.24
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide

N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide (PubChem CID 50956097) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide
PubChem CID50956097
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide
SMILESC=CCN(Cc1cccc(OCC)c1)C(=O)Cc1ccccn1
InChIInChI=1S/C19H22N2O2/c1-3-12-21(19(22)14-17-9-5-6-11-20-17)15-16-8-7-10-18(13-16)23-4-2/h3,5-11,13H,1,4,12,14-15H2,2H3
InChIKeyQPUYDSAJYHWNLY-UHFFFAOYSA-N
XLogP3.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 56750676
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366818
3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 92930005
3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185276
(E)-4-oxo-4-[prop-2-enyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 39349109
3-ethoxy-N-methyl-N-prop-2-enylbenzamide
CID 123374812
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
3-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108732529
2-[3-[[benzyl(prop-2-enyl)carbamoyl]amino]phenoxy]-N,N-dimethylacetamide
CID 51118808
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide (CID 50956097) is N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide is C=CCN(Cc1cccc(OCC)c1)C(=O)Cc1ccccn1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide?
The InChIKey is QPUYDSAJYHWNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-12-21(19(22)14-17-9-5-6-11-20-17)15-16-8-7-10-18(13-16)23-4-2/h3,5-11,13H,1,4,12,14-15H2,2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide?
N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide has a molecular weight of 310.40 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 50956097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).