3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide

C29H28N4O3 — CID 166378922

About 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide

3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide (PubChem CID 166378922) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
• PubChem CID: 166378922
• Molecular Formula: C29H28N4O3
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.22
• IUPAC Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
• SMILES: CC1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1
• InChI: InChI=1S/C29H28N4O3/c1-20-16-22-9-5-6-13-26(22)33(20)19-23-14-15-36-27(23)28(34)30-18-21-8-7-12-25(17-21)32-29(35)31-24-10-3-2-4-11-24/h2-15,17,20H,16,18-19H2,1H3,(H,30,34)(H2,31,32,35)
• InChIKey: ZSJJCZFFANBXIB-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 86.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?

The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide (CID 166378922) is 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide.

What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?

The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide is CC1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1.

What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?

The InChIKey is ZSJJCZFFANBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-20-16-22-9-5-6-13-26(22)33(20)19-23-14-15-36-27(23)28(34)30-18-21-8-7-12-25(17-21)32-29(35)31-24-10-3-2-4-11-24/h2-15,17,20H,16,18-19H2,1H3,(H,30,34)(H2,31,32,35).

What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide?

3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 5.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 166378922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).