N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide

C21H21N3O2 — CID 108999707

IUPACN-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(15-23-14-17-10-12-22-13-11-17)24-19-6-8-20(9-7-19)26-16-18-4-2-1-3-5-18/h1-13,23H,14-16H2,(H,24,25)
InChIKeyJBMJDHPXKMXSGX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.39
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide

N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 108999707) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID108999707
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(15-23-14-17-10-12-22-13-11-17)24-19-6-8-20(9-7-19)26-16-18-4-2-1-3-5-18/h1-13,23H,14-16H2,(H,24,25)
InChIKeyJBMJDHPXKMXSGX-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)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-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066841
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
methyl 4-[[2-(pyridin-4-ylmethylamino)acetyl]amino]benzoate;oxalic acid
CID 15944793
N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 47107068
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
2-(benzylamino)-N-(4-iodophenyl)acetamide
CID 2824675
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide (CID 108999707) is N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide is O=C(CNCc1ccncc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is JBMJDHPXKMXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(15-23-14-17-10-12-22-13-11-17)24-19-6-8-20(9-7-19)26-16-18-4-2-1-3-5-18/h1-13,23H,14-16H2,(H,24,25).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 108999707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).