2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide

C17H21N3O2 — CID 119875696

IUPAC2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
SMILESCOCCNCC(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-22-11-10-19-13-16(21)20-17(14-6-3-2-4-7-14)15-8-5-9-18-12-15/h2-9,12,17,19H,10-11,13H2,1H3,(H,20,21)
InChIKeyULWMAZOYLMJAHT-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.52
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide

2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide (PubChem CID 119875696) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
PubChem CID119875696
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
SMILESCOCCNCC(=O)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-22-11-10-19-13-16(21)20-17(14-6-3-2-4-7-14)15-8-5-9-18-12-15/h2-9,12,17,19H,10-11,13H2,1H3,(H,20,21)
InChIKeyULWMAZOYLMJAHT-UHFFFAOYSA-N
XLogP1.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
CID 96533957
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide (CID 119875696) is 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide is COCCNCC(=O)NC(c1ccccc1)c1cccnc1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide?
The InChIKey is ULWMAZOYLMJAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-11-10-19-13-16(21)20-17(14-6-3-2-4-7-14)15-8-5-9-18-12-15/h2-9,12,17,19H,10-11,13H2,1H3,(H,20,21).
What are the key properties of 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide?
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 119875696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).