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

C24H24N2O5 — CID 42785142

IUPAC2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc(OC)c2)C3)cc1
InChIInChI=1S/C24H24N2O5/c1-29-15-23(27)25-19-8-6-16(7-9-19)22-13-18-14-26(11-10-21(18)31-22)24(28)17-4-3-5-20(12-17)30-2/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)
InChIKeyJTNNRJXPAYWTHM-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.74
Rot. Bonds6

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

2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (PubChem CID 42785142) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
PubChem CID42785142
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc(OC)c2)C3)cc1
InChIInChI=1S/C24H24N2O5/c1-29-15-23(27)25-19-8-6-16(7-9-19)22-13-18-14-26(11-10-21(18)31-22)24(28)17-4-3-5-20(12-17)30-2/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)
InChIKeyJTNNRJXPAYWTHM-UHFFFAOYSA-N
XLogP3.74
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide (CID 42785142) is 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is COCC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2cccc(OC)c2)C3)cc1.
What is the InChIKey of 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
The InChIKey is JTNNRJXPAYWTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-15-23(27)25-19-8-6-16(7-9-19)22-13-18-14-26(11-10-21(18)31-22)24(28)17-4-3-5-20(12-17)30-2/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide?
2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 42785142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).