2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide

C16H19N3O2 — CID 43181000

IUPAC2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
SMILESCC(NCc1ccc(OCC(N)=O)cc1)c1ccncc1
InChIInChI=1S/C16H19N3O2/c1-12(14-6-8-18-9-7-14)19-10-13-2-4-15(5-3-13)21-11-16(17)20/h2-9,12,19H,10-11H2,1H3,(H2,17,20)
InChIKeyRVTOUCMQEJKLIA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.80
Rot. Bonds7

About 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide

2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide (PubChem CID 43181000) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
PubChem CID43181000
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
SMILESCC(NCc1ccc(OCC(N)=O)cc1)c1ccncc1
InChIInChI=1S/C16H19N3O2/c1-12(14-6-8-18-9-7-14)19-10-13-2-4-15(5-3-13)21-11-16(17)20/h2-9,12,19H,10-11H2,1H3,(H2,17,20)
InChIKeyRVTOUCMQEJKLIA-UHFFFAOYSA-N
XLogP1.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide
CID 62840445
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 28721742
2-[4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenyl]acetic acid
CID 103258913
2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide
CID 63091960
2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
CID 103729306

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide (CID 43181000) is 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide is CC(NCc1ccc(OCC(N)=O)cc1)c1ccncc1.
What is the InChIKey of 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide?
The InChIKey is RVTOUCMQEJKLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(14-6-8-18-9-7-14)19-10-13-2-4-15(5-3-13)21-11-16(17)20/h2-9,12,19H,10-11H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide?
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 43181000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).