1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one

C24H28N2O3 — CID 53324269

IUPAC1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CC(C)(C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-24(2,18-25(3)4)29-21-12-10-20(11-13-21)26-15-14-22(16-23(26)27)28-17-19-8-6-5-7-9-19/h5-16H,17-18H2,1-4H3
InChIKeyZPONMQAJTFIAHB-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.14
Rot. Bonds8

About 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one

1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53324269) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53324269
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CC(C)(C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-24(2,18-25(3)4)29-21-12-10-20(11-13-21)26-15-14-22(16-23(26)27)28-17-19-8-6-5-7-9-19/h5-16H,17-18H2,1-4H3
InChIKeyZPONMQAJTFIAHB-UHFFFAOYSA-N
XLogP4.14
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one (CID 53324269) is 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one is CN(C)CC(C)(C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is ZPONMQAJTFIAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(2,18-25(3)4)29-21-12-10-20(11-13-21)26-15-14-22(16-23(26)27)28-17-19-8-6-5-7-9-19/h5-16H,17-18H2,1-4H3.
What are the key properties of 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(dimethylamino)-2-methylpropan-2-yl]oxyphenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53324269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).