N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide

C21H21N3O2 — CID 109024062

IUPACN-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccncc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(12-15-23-16-17-10-13-22-14-11-17)24-19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-11,13-14,23H,12,15-16H2,(H,24,25)
InChIKeyMIWDJUOWVWZNDG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.99
Rot. Bonds8

About N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide

N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide (PubChem CID 109024062) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
PubChem CID109024062
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccncc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(12-15-23-16-17-10-13-22-14-11-17)24-19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-11,13-14,23H,12,15-16H2,(H,24,25)
InChIKeyMIWDJUOWVWZNDG-UHFFFAOYSA-N
XLogP3.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.99
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

3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 109001458
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108998186
N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024024
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
N-(2-morpholin-4-ylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024044
3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide
CID 109016142
N-(2-phenoxyphenyl)decanamide
CID 4091110
N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023401

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide (CID 109024062) is N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide is O=C(CCNCc1ccncc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is MIWDJUOWVWZNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(12-15-23-16-17-10-13-22-14-11-17)24-19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-11,13-14,23H,12,15-16H2,(H,24,25).
What are the key properties of N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide has a molecular weight of 347.42 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 109024062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).