N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide

C20H22N2O3 — CID 127038225

IUPACN-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(-c3c(C)cccc3C)c(CCNC(C)=O)c2n1
InChIInChI=1S/C20H22N2O3/c1-12-6-5-7-13(2)18(12)20-15(10-11-21-14(3)23)19-16(25-20)8-9-17(22-19)24-4/h5-9H,10-11H2,1-4H3,(H,21,23)
InChIKeyLBONVZKKEXRKAB-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide

N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide (PubChem CID 127038225) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
PubChem CID127038225
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(-c3c(C)cccc3C)c(CCNC(C)=O)c2n1
InChIInChI=1S/C20H22N2O3/c1-12-6-5-7-13(2)18(12)20-15(10-11-21-14(3)23)19-16(25-20)8-9-17(22-19)24-4/h5-9H,10-11H2,1-4H3,(H,21,23)
InChIKeyLBONVZKKEXRKAB-UHFFFAOYSA-N
XLogP3.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide (CID 127038225) is N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide is COc1ccc2oc(-c3c(C)cccc3C)c(CCNC(C)=O)c2n1.
What is the InChIKey of N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide?
The InChIKey is LBONVZKKEXRKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-6-5-7-13(2)18(12)20-15(10-11-21-14(3)23)19-16(25-20)8-9-17(22-19)24-4/h5-9H,10-11H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide?
N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide is sourced from PubChem (CID 127038225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).