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

C26H27FN2O4 — CID 134226929

IUPACN-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2F)nc1
InChIInChI=1S/C26H27FN2O4/c1-17(29-18(2)30)20-9-11-26(28-14-20)32-16-21-8-10-24(13-25(21)27)33-23-5-3-4-22(12-23)31-15-19-6-7-19/h3-5,8-14,17,19H,6-7,15-16H2,1-2H3,(H,29,30)
InChIKeyQFXWIEOLLNAEQA-UHFFFAOYSA-N
MW450.51 g/mol
LogP5.58
Rot. Bonds10

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

N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide (PubChem CID 134226929) has the molecular formula C26H27FN2O4 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
PubChem CID134226929
Molecular FormulaC26H27FN2O4
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC NameN-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2F)nc1
InChIInChI=1S/C26H27FN2O4/c1-17(29-18(2)30)20-9-11-26(28-14-20)32-16-21-8-10-24(13-25(21)27)33-23-5-3-4-22(12-23)31-15-19-6-7-19/h3-5,8-14,17,19H,6-7,15-16H2,1-2H3,(H,29,30)
InChIKeyQFXWIEOLLNAEQA-UHFFFAOYSA-N
XLogP5.58
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
CID 130472859
6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridine-3-carboxylic acid
CID 134226939
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472709
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472862
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide
CID 130472744
N-[1-[2-[3-bromo-4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472842
N-[1-[[2-[2-[3-(cyclopropylmethoxy)phenoxy]pyrimidin-5-yl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide
CID 134227042
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226841
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815
N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
CID 123687473
3-(1-azidoethyl)-6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2,6-difluorophenyl]methoxy]pyridazine
CID 134227041

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide (CID 134226929) is N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OCc2ccc(Oc3cccc(OCC4CC4)c3)cc2F)nc1.
What is the InChIKey of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide?
The InChIKey is QFXWIEOLLNAEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4/c1-17(29-18(2)30)20-9-11-26(28-14-20)32-16-21-8-10-24(13-25(21)27)33-23-5-3-4-22(12-23)31-15-19-6-7-19/h3-5,8-14,17,19H,6-7,15-16H2,1-2H3,(H,29,30).
What are the key properties of N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide?
N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide has a molecular weight of 450.51 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 134226929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).