N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide

C26H22N2O3 — CID 129142524

IUPACN-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H22N2O3/c1-19(29)28-17-20-6-5-7-21(16-20)25-18-27-15-14-26(25)31-24-12-10-23(11-13-24)30-22-8-3-2-4-9-22/h2-16,18H,17H2,1H3,(H,28,29)
InChIKeyFUBDDRBYPFAEJX-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.97
Rot. Bonds7

About N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide

N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide (PubChem CID 129142524) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
PubChem CID129142524
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H22N2O3/c1-19(29)28-17-20-6-5-7-21(16-20)25-18-27-15-14-26(25)31-24-12-10-23(11-13-24)30-22-8-3-2-4-9-22/h2-16,18H,17H2,1H3,(H,28,29)
InChIKeyFUBDDRBYPFAEJX-UHFFFAOYSA-N
XLogP5.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]but-2-enamide
CID 71092945
(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide
CID 71092778
2-cyano-N-[[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]prop-2-enamide
CID 90226018
N-[[3-[2-amino-4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]prop-2-enamide
CID 129142730
N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide
CID 57335913
N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
CID 89266732
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465
N-[[3-(6-amino-3-pyridinyl)phenyl]methyl]acetamide
CID 90125227
N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide (CID 129142524) is N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide?
The InChIKey is FUBDDRBYPFAEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-19(29)28-17-20-6-5-7-21(16-20)25-18-27-15-14-26(25)31-24-12-10-23(11-13-24)30-22-8-3-2-4-9-22/h2-16,18H,17H2,1H3,(H,28,29).
What are the key properties of N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide?
N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide is sourced from PubChem (CID 129142524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).