1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one

C24H29N3O2 — CID 53318594

IUPAC1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCCN(CC)CCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-3-26(4-2)17-15-25-21-10-12-22(13-11-21)27-16-14-23(18-24(27)28)29-19-20-8-6-5-7-9-20/h5-14,16,18,25H,3-4,15,17,19H2,1-2H3
InChIKeyCIMJGOFPRRZLKM-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.17
Rot. Bonds10

About 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53318594) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53318594
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCCN(CC)CCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-3-26(4-2)17-15-25-21-10-12-22(13-11-21)27-16-14-23(18-24(27)28)29-19-20-8-6-5-7-9-20/h5-14,16,18,25H,3-4,15,17,19H2,1-2H3
InChIKeyCIMJGOFPRRZLKM-UHFFFAOYSA-N
XLogP4.17
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one (CID 53318594) is 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one is CCN(CC)CCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is CIMJGOFPRRZLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-26(4-2)17-15-25-21-10-12-22(13-11-21)27-16-14-23(18-24(27)28)29-19-20-8-6-5-7-9-20/h5-14,16,18,25H,3-4,15,17,19H2,1-2H3.
What are the key properties of 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 391.52 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53318594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).