3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide

C23H30N2O3 — CID 42784040

About 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide

3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide (PubChem CID 42784040) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
• PubChem CID: 42784040
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)CC(C)C)C3)c1
• InChI: InChI=1S/C23H30N2O3/c1-15(2)10-22(26)24-19-7-5-6-17(12-19)21-13-18-14-25(9-8-20(18)28-21)23(27)11-16(3)4/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,24,26)
• InChIKey: VJENLFGWAKPSEL-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

The IUPAC name of 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide (CID 42784040) is 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide.

What is the SMILES notation for 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

The canonical SMILES for 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide is CC(C)CC(=O)Nc1cccc(-c2cc3c(o2)CCN(C(=O)CC(C)C)C3)c1.

What is the InChIKey of 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

The InChIKey is VJENLFGWAKPSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)10-22(26)24-19-7-5-6-17(12-19)21-13-18-14-25(9-8-20(18)28-21)23(27)11-16(3)4/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,24,26).

What are the key properties of 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide has a molecular weight of 382.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide is sourced from PubChem (CID 42784040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).