2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide

C21H21N3O2 — CID 108999304

IUPAC2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C21H21N3O2/c25-21(24-14-19-8-4-5-13-22-19)15-23-18-9-11-20(12-10-18)26-16-17-6-2-1-3-7-17/h1-13,23H,14-16H2,(H,24,25)
InChIKeyGJPSIJJKKFXJJH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.39
Rot. Bonds8

About 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108999304) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108999304
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C21H21N3O2/c25-21(24-14-19-8-4-5-13-22-19)15-23-18-9-11-20(12-10-18)26-16-17-6-2-1-3-7-17/h1-13,23H,14-16H2,(H,24,25)
InChIKeyGJPSIJJKKFXJJH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023273
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821696
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 108999304) is 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide is O=C(CNc1ccc(OCc2ccccc2)cc1)NCc1ccccn1.
What is the InChIKey of 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GJPSIJJKKFXJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(24-14-19-8-4-5-13-22-19)15-23-18-9-11-20(12-10-18)26-16-17-6-2-1-3-7-17/h1-13,23H,14-16H2,(H,24,25).
What are the key properties of 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)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 2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108999304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).