ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate

C25H27N3O4 — CID 56563105

About ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate

ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate (PubChem CID 56563105) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate
• PubChem CID: 56563105
• Molecular Formula: C25H27N3O4
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.20
• IUPAC Name: ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate
• SMILES: CCOC(=O)N(C)c1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1
• InChI: InChI=1S/C25H27N3O4/c1-4-31-25(30)27(3)20-11-9-19(10-12-20)26-24(29)21-13-14-32-23(21)16-28-17(2)15-18-7-5-6-8-22(18)28/h5-14,17H,4,15-16H2,1-3H3,(H,26,29)
• InChIKey: GMODEMFWJCSAFB-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate?

The IUPAC name of ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate (CID 56563105) is ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate.

What is the SMILES notation for ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate?

The canonical SMILES for ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate is CCOC(=O)N(C)c1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1.

What is the InChIKey of ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate?

The InChIKey is GMODEMFWJCSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-31-25(30)27(3)20-11-9-19(10-12-20)26-24(29)21-13-14-32-23(21)16-28-17(2)15-18-7-5-6-8-22(18)28/h5-14,17H,4,15-16H2,1-3H3,(H,26,29).

What are the key properties of ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate?

ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate has a molecular weight of 433.51 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-methyl-N-[4-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 56563105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).