2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

C23H31N3O — CID 134043135

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 134043135) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
• PubChem CID: 134043135
• Molecular Formula: C23H31N3O
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.25
• IUPAC Name: 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
• SMILES: CCN(c1ccc(NC(=O)CN(C)C2CCc3ccccc32)cc1)C(C)C
• InChI: InChI=1S/C23H31N3O/c1-5-26(17(2)3)20-13-11-19(12-14-20)24-23(27)16-25(4)22-15-10-18-8-6-7-9-21(18)22/h6-9,11-14,17,22H,5,10,15-16H2,1-4H3,(H,24,27)
• InChIKey: JBQUCKSQXPTSIU-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?

The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 134043135) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?

The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(NC(=O)CN(C)C2CCc3ccccc32)cc1)C(C)C.

What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?

The InChIKey is JBQUCKSQXPTSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-5-26(17(2)3)20-13-11-19(12-14-20)24-23(27)16-25(4)22-15-10-18-8-6-7-9-21(18)22/h6-9,11-14,17,22H,5,10,15-16H2,1-4H3,(H,24,27).

What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 134043135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).