3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide

C22H23N3O2 — CID 109023273

IUPAC3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNc1ccc(OCc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C22H23N3O2/c26-22(25-16-20-8-4-5-14-23-20)13-15-24-19-9-11-21(12-10-19)27-17-18-6-2-1-3-7-18/h1-12,14,24H,13,15-17H2,(H,25,26)
InChIKeyBMKWESWBKRGHFL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.78
Rot. Bonds9

About 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109023273) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109023273
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNc1ccc(OCc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C22H23N3O2/c26-22(25-16-20-8-4-5-14-23-20)13-15-24-19-9-11-21(12-10-19)27-17-18-6-2-1-3-7-18/h1-12,14,24H,13,15-17H2,(H,25,26)
InChIKeyBMKWESWBKRGHFL-UHFFFAOYSA-N
XLogP3.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.78
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

2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-methyl-N-phenyl-3-(4-phenylmethoxyanilino)propanamide
CID 109034597
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 109023273) is 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide is O=C(CCNc1ccc(OCc2ccccc2)cc1)NCc1ccccn1.
What is the InChIKey of 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is BMKWESWBKRGHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(25-16-20-8-4-5-14-23-20)13-15-24-19-9-11-21(12-10-19)27-17-18-6-2-1-3-7-18/h1-12,14,24H,13,15-17H2,(H,25,26).
What are the key properties of 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 361.45 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109023273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).