N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide

C32H38FN3O3 — CID 25175625

IUPACN-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(-c2ccc(OCCN3CCOCC3)cc2C2CCCCC2)cn1
InChIInChI=1S/C32H38FN3O3/c33-27-8-4-5-24(19-27)20-32(37)35-23-28-10-9-26(22-34-28)30-12-11-29(21-31(30)25-6-2-1-3-7-25)39-18-15-36-13-16-38-17-14-36/h4-5,8-12,19,21-22,25H,1-3,6-7,13-18,20,23H2,(H,35,37)
InChIKeyCQUJJZWEZUITKH-UHFFFAOYSA-N
MW531.67 g/mol
LogP5.51
Rot. Bonds10

About N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide

N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 25175625) has the molecular formula C32H38FN3O3 and a molecular weight of 531.67 g/mol. Its IUPAC name is N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
PubChem CID25175625
Molecular FormulaC32H38FN3O3
Molecular Weight531.67 g/mol
Exact Mass531.29
IUPAC NameN-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(-c2ccc(OCCN3CCOCC3)cc2C2CCCCC2)cn1
InChIInChI=1S/C32H38FN3O3/c33-27-8-4-5-24(19-27)20-32(37)35-23-28-10-9-26(22-34-28)30-12-11-29(21-31(30)25-6-2-1-3-7-25)39-18-15-36-13-16-38-17-14-36/h4-5,8-12,19,21-22,25H,1-3,6-7,13-18,20,23H2,(H,35,37)
InChIKeyCQUJJZWEZUITKH-UHFFFAOYSA-N
XLogP5.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.67
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide (CID 25175625) is N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCc1ccc(-c2ccc(OCCN3CCOCC3)cc2C2CCCCC2)cn1.
What is the InChIKey of N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is CQUJJZWEZUITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O3/c33-27-8-4-5-24(19-27)20-32(37)35-23-28-10-9-26(22-34-28)30-12-11-29(21-31(30)25-6-2-1-3-7-25)39-18-15-36-13-16-38-17-14-36/h4-5,8-12,19,21-22,25H,1-3,6-7,13-18,20,23H2,(H,35,37).
What are the key properties of N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide?
N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 531.67 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-cyclohexyl-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 25175625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).