N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide

C29H28N2O2 — CID 67659278

IUPACN-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide
SMILESCCC(c1cccc(NC(=O)Cc2cccnc2)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C29H28N2O2/c1-2-26(27-15-6-7-16-28(27)33-21-22-10-4-3-5-11-22)24-13-8-14-25(19-24)31-29(32)18-23-12-9-17-30-20-23/h3-17,19-20,26H,2,18,21H2,1H3,(H,31,32)
InChIKeyNDZYQDAVKRJVSH-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.38
Rot. Bonds9

About N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide

N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide (PubChem CID 67659278) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide
PubChem CID67659278
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide
SMILESCCC(c1cccc(NC(=O)Cc2cccnc2)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C29H28N2O2/c1-2-26(27-15-6-7-16-28(27)33-21-22-10-4-3-5-11-22)24-13-8-14-25(19-24)31-29(32)18-23-12-9-17-30-20-23/h3-17,19-20,26H,2,18,21H2,1H3,(H,31,32)
InChIKeyNDZYQDAVKRJVSH-UHFFFAOYSA-N
XLogP6.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide (CID 67659278) is N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide is CCC(c1cccc(NC(=O)Cc2cccnc2)c1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is NDZYQDAVKRJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-2-26(27-15-6-7-16-28(27)33-21-22-10-4-3-5-11-22)24-13-8-14-25(19-24)31-29(32)18-23-12-9-17-30-20-23/h3-17,19-20,26H,2,18,21H2,1H3,(H,31,32).
What are the key properties of N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide?
N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 436.56 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67659278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).