N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide

C26H26F2N2O4 — CID 134226803

IUPACN-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cn1
InChIInChI=1S/C26H26F2N2O4/c1-16(30-17(2)31)26-9-8-21(13-29-26)33-15-23-24(27)11-22(12-25(23)28)34-20-5-3-4-19(10-20)32-14-18-6-7-18/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,30,31)
InChIKeyDZIKEAYWMNRODM-UHFFFAOYSA-N
MW468.50 g/mol
LogP5.72
Rot. Bonds10

About N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide

N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide (PubChem CID 134226803) has the molecular formula C26H26F2N2O4 and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide
PubChem CID134226803
Molecular FormulaC26H26F2N2O4
Molecular Weight468.50 g/mol
Exact Mass468.19
IUPAC NameN-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cn1
InChIInChI=1S/C26H26F2N2O4/c1-16(30-17(2)31)26-9-8-21(13-29-26)33-15-23-24(27)11-22(12-25(23)28)34-20-5-3-4-19(10-20)32-14-18-6-7-18/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,30,31)
InChIKeyDZIKEAYWMNRODM-UHFFFAOYSA-N
XLogP5.72
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide (CID 134226803) is N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OCc2c(F)cc(Oc3cccc(OCC4CC4)c3)cc2F)cn1.
What is the InChIKey of N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide?
The InChIKey is DZIKEAYWMNRODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O4/c1-16(30-17(2)31)26-9-8-21(13-29-26)33-15-23-24(27)11-22(12-25(23)28)34-20-5-3-4-19(10-20)32-14-18-6-7-18/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,30,31).
What are the key properties of N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide?
N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide has a molecular weight of 468.50 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 134226803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).