N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide

C21H25N3O4 — CID 9396618

About N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide

N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide (PubChem CID 9396618) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
• PubChem CID: 9396618
• Molecular Formula: C21H25N3O4
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.18
• IUPAC Name: N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
• SMILES: C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccco1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C21H25N3O4/c1-14(16-9-8-15-5-2-3-6-17(15)11-16)24-20(26)13-22-19(25)12-23-21(27)18-7-4-10-28-18/h4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t14-/m0/s1
• InChIKey: QGRYFMCQNVJNRW-AWEZNQCLSA-N
• XLogP: 1.88
• TPSA: 100.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide?

The IUPAC name of N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide (CID 9396618) is N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide is C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccco1)c1ccc2c(c1)CCCC2.

What is the InChIKey of N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide?

The InChIKey is QGRYFMCQNVJNRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(16-9-8-15-5-2-3-6-17(15)11-16)24-20(26)13-22-19(25)12-23-21(27)18-7-4-10-28-18/h4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t14-/m0/s1.

What are the key properties of N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide?

N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 9396618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).