1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

C24H26N2O3 — CID 71732074

IUPAC1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCCNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1
InChIInChI=1S/C24H26N2O3/c1-3-25-15-20-9-10-22(18(2)13-20)23(27)16-26-12-11-21(14-24(26)28)29-17-19-7-5-4-6-8-19/h4-14,25H,3,15-17H2,1-2H3
InChIKeyVKCBLLVNXWETFT-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.73
Rot. Bonds9

About 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 71732074) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
PubChem CID71732074
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCCNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1
InChIInChI=1S/C24H26N2O3/c1-3-25-15-20-9-10-22(18(2)13-20)23(27)16-26-12-11-21(14-24(26)28)29-17-19-7-5-4-6-8-19/h4-14,25H,3,15-17H2,1-2H3
InChIKeyVKCBLLVNXWETFT-UHFFFAOYSA-N
XLogP3.73
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (CID 71732074) is 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is CCNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1.
What is the InChIKey of 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is VKCBLLVNXWETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-25-15-20-9-10-22(18(2)13-20)23(27)16-26-12-11-21(14-24(26)28)29-17-19-7-5-4-6-8-19/h4-14,25H,3,15-17H2,1-2H3.
What are the key properties of 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71732074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).