N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide

C16H19N3O2 — CID 29006248

IUPACN-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide
SMILESNCc1ccc(NC(=O)COCCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O2/c17-11-13-4-6-15(7-5-13)19-16(20)12-21-10-8-14-3-1-2-9-18-14/h1-7,9H,8,10-12,17H2,(H,19,20)
InChIKeyZMRDTMKGYBOPBU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.74
Rot. Bonds7

About N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide

N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide (PubChem CID 29006248) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide
PubChem CID29006248
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide
SMILESNCc1ccc(NC(=O)COCCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O2/c17-11-13-4-6-15(7-5-13)19-16(20)12-21-10-8-14-3-1-2-9-18-14/h1-7,9H,8,10-12,17H2,(H,19,20)
InChIKeyZMRDTMKGYBOPBU-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

N-(2-aminophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006236
N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006235
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
CID 46786313
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
6-(2-pyridin-2-ylethoxymethyl)pyridine-2-carbohydrazide
CID 106908801
1-(3-chlorophenyl)-2-(2-pyridin-2-ylethoxy)ethanone
CID 62030040

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide (CID 29006248) is N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide is NCc1ccc(NC(=O)COCCc2ccccn2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide?
The InChIKey is ZMRDTMKGYBOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-11-13-4-6-15(7-5-13)19-16(20)12-21-10-8-14-3-1-2-9-18-14/h1-7,9H,8,10-12,17H2,(H,19,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide?
N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide is sourced from PubChem (CID 29006248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).