3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide

C22H22N2O2 — CID 71089315

IUPAC3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cc(COCc2ccccc2)ccn1
InChIInChI=1S/C22H22N2O2/c25-22(12-11-18-7-3-1-4-8-18)24-21-15-20(13-14-23-21)17-26-16-19-9-5-2-6-10-19/h1-10,13-15H,11-12,16-17H2,(H,23,24,25)
InChIKeyBWCMKPAPVKFJPR-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.37
Rot. Bonds8

About 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide

3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide (PubChem CID 71089315) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide
PubChem CID71089315
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cc(COCc2ccccc2)ccn1
InChIInChI=1S/C22H22N2O2/c25-22(12-11-18-7-3-1-4-8-18)24-21-15-20(13-14-23-21)17-26-16-19-9-5-2-6-10-19/h1-10,13-15H,11-12,16-17H2,(H,23,24,25)
InChIKeyBWCMKPAPVKFJPR-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide (CID 71089315) is 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide is O=C(CCc1ccccc1)Nc1cc(COCc2ccccc2)ccn1.
What is the InChIKey of 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide?
The InChIKey is BWCMKPAPVKFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(12-11-18-7-3-1-4-8-18)24-21-15-20(13-14-23-21)17-26-16-19-9-5-2-6-10-19/h1-10,13-15H,11-12,16-17H2,(H,23,24,25).
What are the key properties of 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide?
3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(phenylmethoxymethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 71089315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).