2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide

C29H27N3O3 — CID 46046119

IUPAC2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C29H27N3O3/c33-28(31-20-25-11-7-8-18-30-25)19-23-14-16-26(17-15-23)32(21-24-9-3-1-4-10-24)29(34)22-35-27-12-5-2-6-13-27/h1-18H,19-22H2,(H,31,33)
InChIKeyKCRGVYFEUHXUEY-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.55
Rot. Bonds10

About 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide

2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 46046119) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID46046119
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C29H27N3O3/c33-28(31-20-25-11-7-8-18-30-25)19-23-14-16-26(17-15-23)32(21-24-9-3-1-4-10-24)29(34)22-35-27-12-5-2-6-13-27/h1-18H,19-22H2,(H,31,33)
InChIKeyKCRGVYFEUHXUEY-UHFFFAOYSA-N
XLogP4.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 46046116
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046355
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 133149558
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 42852806
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888582
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide (CID 46046119) is 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCc1ccccn1.
What is the InChIKey of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KCRGVYFEUHXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-28(31-20-25-11-7-8-18-30-25)19-23-14-16-26(17-15-23)32(21-24-9-3-1-4-10-24)29(34)22-35-27-12-5-2-6-13-27/h1-18H,19-22H2,(H,31,33).
What are the key properties of 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 465.55 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 46046119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).