N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide

C17H19N3O2 — CID 39163292

IUPACN-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide
SMILESNCCNC(=O)COc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c18-9-12-20-17(21)13-22-16-5-3-14(4-6-16)1-2-15-7-10-19-11-8-15/h1-8,10-11H,9,12-13,18H2,(H,20,21)/b2-1+
InChIKeyIFYSSCLBLYRUHK-OWOJBTEDSA-N
MW297.36 g/mol
LogP1.71
Rot. Bonds7

About N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide

N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide (PubChem CID 39163292) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide
PubChem CID39163292
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide
SMILESNCCNC(=O)COc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c18-9-12-20-17(21)13-22-16-5-3-14(4-6-16)1-2-15-7-10-19-11-8-15/h1-8,10-11H,9,12-13,18H2,(H,20,21)/b2-1+
InChIKeyIFYSSCLBLYRUHK-OWOJBTEDSA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
CID 134394160
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-(2-aminoethyl)-2-(4-benzylphenoxy)acetamide
CID 62275392
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
N-(2-aminoethyl)-4-(4-formylphenoxy)butanamide
CID 39163097
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide
CID 134394183
[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenyl]methyl N-(hydroxymethyl)carbamate
CID 134394172

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide (CID 39163292) is N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide is NCCNC(=O)COc1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide?
The InChIKey is IFYSSCLBLYRUHK-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-9-12-20-17(21)13-22-16-5-3-14(4-6-16)1-2-15-7-10-19-11-8-15/h1-8,10-11H,9,12-13,18H2,(H,20,21)/b2-1+.
What are the key properties of N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide?
N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide has a molecular weight of 297.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]acetamide is sourced from PubChem (CID 39163292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).