N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide

C28H27N3O2 — CID 78896287

IUPACN-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccn1)NCc1ccccc1COc1ccccc1
InChIInChI=1S/C28H27N3O2/c32-27(20-31-28(22-11-3-1-4-12-22)26-17-9-10-18-29-26)30-19-23-13-7-8-14-24(23)21-33-25-15-5-2-6-16-25/h1-18,28,31H,19-21H2,(H,30,32)
InChIKeyXFGVHFHDRUUSIB-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.66
Rot. Bonds10

About N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide

N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide (PubChem CID 78896287) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
PubChem CID78896287
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccn1)NCc1ccccc1COc1ccccc1
InChIInChI=1S/C28H27N3O2/c32-27(20-31-28(22-11-3-1-4-12-22)26-17-9-10-18-29-26)30-19-23-13-7-8-14-24(23)21-33-25-15-5-2-6-16-25/h1-18,28,31H,19-21H2,(H,30,32)
InChIKeyXFGVHFHDRUUSIB-UHFFFAOYSA-N
XLogP4.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 34159063
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
CID 78825131
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
N-(1-acetylpiperidin-4-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 86911597
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55446432

Frequently Asked Questions

What is the IUPAC name of N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide (CID 78896287) is N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide is O=C(CNC(c1ccccc1)c1ccccn1)NCc1ccccc1COc1ccccc1.
What is the InChIKey of N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The InChIKey is XFGVHFHDRUUSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-27(20-31-28(22-11-3-1-4-12-22)26-17-9-10-18-29-26)30-19-23-13-7-8-14-24(23)21-33-25-15-5-2-6-16-25/h1-18,28,31H,19-21H2,(H,30,32).
What are the key properties of N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide has a molecular weight of 437.54 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 78896287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).