N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide

C19H22N2O2 — CID 46999749

IUPACN-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cc1ccccn1
InChIInChI=1S/C19H22N2O2/c1-3-13-23-18-11-6-5-9-16(18)15-21(4-2)19(22)14-17-10-7-8-12-20-17/h3,5-12H,1,4,13-15H2,2H3
InChIKeyXSQFTCVVZFRVTR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.24
Rot. Bonds8

About N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide

N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide (PubChem CID 46999749) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
PubChem CID46999749
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
SMILESC=CCOc1ccccc1CN(CC)C(=O)Cc1ccccn1
InChIInChI=1S/C19H22N2O2/c1-3-13-23-18-11-6-5-9-16(18)15-21(4-2)19(22)14-17-10-7-8-12-20-17/h3,5-12H,1,4,13-15H2,2H3
InChIKeyXSQFTCVVZFRVTR-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-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 50961309
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46998618
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46990549
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 132608817
3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 55123242
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 70749985
N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 50956097
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
1-ethyl-2-[(2-prop-2-enoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111556379
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide (CID 46999749) is N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide is C=CCOc1ccccc1CN(CC)C(=O)Cc1ccccn1.
What is the InChIKey of N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide?
The InChIKey is XSQFTCVVZFRVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-13-23-18-11-6-5-9-16(18)15-21(4-2)19(22)14-17-10-7-8-12-20-17/h3,5-12H,1,4,13-15H2,2H3.
What are the key properties of N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide?
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-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-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 46999749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).