N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C26H29N3O3 — CID 56566955

About N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 56566955) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• PubChem CID: 56566955
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• SMILES: CCCC(=O)Nc1ccc(CNC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1
• InChI: InChI=1S/C26H29N3O3/c1-3-6-25(30)28-21-11-9-19(10-12-21)16-27-26(31)22-13-14-32-24(22)17-29-18(2)15-20-7-4-5-8-23(20)29/h4-5,7-14,18H,3,6,15-17H2,1-2H3,(H,27,31)(H,28,30)
• InChIKey: PKGYUPYMISIJNI-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 74.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 56566955) is N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

What is the SMILES notation for N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The canonical SMILES for N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is CCCC(=O)Nc1ccc(CNC(=O)c2ccoc2CN2c3ccccc3CC2C)cc1.

What is the InChIKey of N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The InChIKey is PKGYUPYMISIJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-6-25(30)28-21-11-9-19(10-12-21)16-27-26(31)22-13-14-32-24(22)17-29-18(2)15-20-7-4-5-8-23(20)29/h4-5,7-14,18H,3,6,15-17H2,1-2H3,(H,27,31)(H,28,30).

What are the key properties of N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56566955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).