2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate

C24H33N3O5 — CID 143994822

About 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate

2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate (PubChem CID 143994822) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
• PubChem CID: 143994822
• Molecular Formula: C24H33N3O5
• Molecular Weight: 443.54 g/mol
• Exact Mass: 443.24
• IUPAC Name: 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
• SMILES: CC[C@@H](C)C(NC(=O)c1ccc(-c2cccc(CNC(=O)OCC(C)C)c2)o1)C(=O)NC
• InChI: InChI=1S/C24H33N3O5/c1-6-16(4)21(23(29)25-5)27-22(28)20-11-10-19(32-20)18-9-7-8-17(12-18)13-26-24(30)31-14-15(2)3/h7-12,15-16,21H,6,13-14H2,1-5H3,(H,25,29)(H,26,30)(H,27,28)/t16-,21?/m1/s1
• InChIKey: UNGCGEIXVQROGQ-UJONTBEJSA-N
• XLogP: 3.72
• TPSA: 109.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.54
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?

The IUPAC name of 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate (CID 143994822) is 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?

The canonical SMILES for 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate is CC[C@@H](C)C(NC(=O)c1ccc(-c2cccc(CNC(=O)OCC(C)C)c2)o1)C(=O)NC.

What is the InChIKey of 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?

The InChIKey is UNGCGEIXVQROGQ-UJONTBEJSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-6-16(4)21(23(29)25-5)27-22(28)20-11-10-19(32-20)18-9-7-8-17(12-18)13-26-24(30)31-14-15(2)3/h7-12,15-16,21H,6,13-14H2,1-5H3,(H,25,29)(H,26,30)(H,27,28)/t16-,21?/m1/s1.

What are the key properties of 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?

2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate has a molecular weight of 443.54 g/mol, XLogP of 3.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 143994822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).