N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide

C25H27N3O2 — CID 76655372

IUPACN-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C25H27N3O2/c1-19(24-12-11-23(18-26-24)28-13-15-30-16-14-28)27-25(29)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-12,18-19H,13-17H2,1H3,(H,27,29)
InChIKeyRWOAHVJIOHEHRL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide

N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 76655372) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID76655372
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C25H27N3O2/c1-19(24-12-11-23(18-26-24)28-13-15-30-16-14-28)27-25(29)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-12,18-19H,13-17H2,1H3,(H,27,29)
InChIKeyRWOAHVJIOHEHRL-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide (CID 76655372) is N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide is CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cn1.
What is the InChIKey of N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is RWOAHVJIOHEHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19(24-12-11-23(18-26-24)28-13-15-30-16-14-28)27-25(29)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-12,18-19H,13-17H2,1H3,(H,27,29).
What are the key properties of N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 76655372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).