1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone

C24H24N2O3 — CID 158035478

IUPAC1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone
SMILESCc1cc(OCc2ccccn2)ccc1Nc1cccc(C(=O)CC2COC2)c1
InChIInChI=1S/C24H24N2O3/c1-17-11-22(29-16-21-6-2-3-10-25-21)8-9-23(17)26-20-7-4-5-19(13-20)24(27)12-18-14-28-15-18/h2-11,13,18,26H,12,14-16H2,1H3
InChIKeyWFUKNSLMQQISSL-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.93
Rot. Bonds8

About 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone

1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone (PubChem CID 158035478) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone
PubChem CID158035478
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone
SMILESCc1cc(OCc2ccccn2)ccc1Nc1cccc(C(=O)CC2COC2)c1
InChIInChI=1S/C24H24N2O3/c1-17-11-22(29-16-21-6-2-3-10-25-21)8-9-23(17)26-20-7-4-5-19(13-20)24(27)12-18-14-28-15-18/h2-11,13,18,26H,12,14-16H2,1H3
InChIKeyWFUKNSLMQQISSL-UHFFFAOYSA-N
XLogP4.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone?
The IUPAC name of 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone (CID 158035478) is 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone.
What is the SMILES notation for 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone?
The canonical SMILES for 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone is Cc1cc(OCc2ccccn2)ccc1Nc1cccc(C(=O)CC2COC2)c1.
What is the InChIKey of 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone?
The InChIKey is WFUKNSLMQQISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-11-22(29-16-21-6-2-3-10-25-21)8-9-23(17)26-20-7-4-5-19(13-20)24(27)12-18-14-28-15-18/h2-11,13,18,26H,12,14-16H2,1H3.
What are the key properties of 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone?
1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone has a molecular weight of 388.47 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone is sourced from PubChem (CID 158035478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).