N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide

C30H28F2N2O4 — CID 118116968

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCc2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C30H28F2N2O4/c1-3-37-28-18-30(36)34(2)19-24(28)23-17-22(33-29(35)11-7-10-20-8-5-4-6-9-20)13-15-26(23)38-27-14-12-21(31)16-25(27)32/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,33,35)
InChIKeyVCOPZTSRBGZXPT-UHFFFAOYSA-N
MW518.56 g/mol
LogP6.48
Rot. Bonds10

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide (PubChem CID 118116968) has the molecular formula C30H28F2N2O4 and a molecular weight of 518.56 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide
PubChem CID118116968
Molecular FormulaC30H28F2N2O4
Molecular Weight518.56 g/mol
Exact Mass518.20
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCc2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C30H28F2N2O4/c1-3-37-28-18-30(36)34(2)19-24(28)23-17-22(33-29(35)11-7-10-20-8-5-4-6-9-20)13-15-26(23)38-27-14-12-21(31)16-25(27)32/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,33,35)
InChIKeyVCOPZTSRBGZXPT-UHFFFAOYSA-N
XLogP6.48
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.56
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide (CID 118116968) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCc2ccccc2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide?
The InChIKey is VCOPZTSRBGZXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N2O4/c1-3-37-28-18-30(36)34(2)19-24(28)23-17-22(33-29(35)11-7-10-20-8-5-4-6-9-20)13-15-26(23)38-27-14-12-21(31)16-25(27)32/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,33,35).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide has a molecular weight of 518.56 g/mol, XLogP of 6.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 118116968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).