4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide

C27H30N2O3 — CID 110075872

IUPAC4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
SMILESCOc1ccc(-c2cccc(CC3(C(=O)NCCc4ccncc4)CCOCC3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-25-7-5-23(6-8-25)24-4-2-3-22(19-24)20-27(12-17-32-18-13-27)26(30)29-16-11-21-9-14-28-15-10-21/h2-10,14-15,19H,11-13,16-18,20H2,1H3,(H,29,30)
InChIKeyKABPJKPMZHHZBK-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.46
Rot. Bonds8

About 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide

4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide (PubChem CID 110075872) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
PubChem CID110075872
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
SMILESCOc1ccc(-c2cccc(CC3(C(=O)NCCc4ccncc4)CCOCC3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-25-7-5-23(6-8-25)24-4-2-3-22(19-24)20-27(12-17-32-18-13-27)26(30)29-16-11-21-9-14-28-15-10-21/h2-10,14-15,19H,11-13,16-18,20H2,1H3,(H,29,30)
InChIKeyKABPJKPMZHHZBK-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 110075870
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 155982740
N-(2-phenylethyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 129455017
N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110088142
N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938713
N-(2-hydroxypropyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110083079
N-[(4-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458157
N-[(2-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458844
4-[[3-(3,5-dimethylphenyl)phenyl]methyl]-N-(3-methoxypropyl)oxane-4-carboxamide
CID 110085030
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-[2-(cyclohexen-1-yl)ethyl]-4-[[3-(4-fluorophenyl)phenyl]methyl]oxane-4-carboxamide
CID 129459873
N-(2-acetamidoethyl)-4-[[3-(3,5-dimethylphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129455278

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide (CID 110075872) is 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide is COc1ccc(-c2cccc(CC3(C(=O)NCCc4ccncc4)CCOCC3)c2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
The InChIKey is KABPJKPMZHHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-31-25-7-5-23(6-8-25)24-4-2-3-22(19-24)20-27(12-17-32-18-13-27)26(30)29-16-11-21-9-14-28-15-10-21/h2-10,14-15,19H,11-13,16-18,20H2,1H3,(H,29,30).
What are the key properties of 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide?
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 110075872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).