2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide

C20H24N2O4 — CID 42784012

IUPAC2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C(C)C)C3)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)20(24)22-8-7-17-15(11-22)10-18(26-17)14-5-4-6-16(9-14)21-19(23)12-25-3/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyNZOWFHYWMGJPHU-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.07
Rot. Bonds5

About 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide

2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (PubChem CID 42784012) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
PubChem CID42784012
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C(C)C)C3)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)20(24)22-8-7-17-15(11-22)10-18(26-17)14-5-4-6-16(9-14)21-19(23)12-25-3/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyNZOWFHYWMGJPHU-UHFFFAOYSA-N
XLogP3.07
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (CID 42784012) is 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is COCC(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C(C)C)C3)c1.
What is the InChIKey of 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
The InChIKey is NZOWFHYWMGJPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)20(24)22-8-7-17-15(11-22)10-18(26-17)14-5-4-6-16(9-14)21-19(23)12-25-3/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 42784012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).