[1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid

C34H50N4O6 — CID 77246182

About [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid

[1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid (PubChem CID 77246182) has the molecular formula C34H50N4O6 and a molecular weight of 610.80 g/mol. Its IUPAC name is [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid
• PubChem CID: 77246182
• Molecular Formula: C34H50N4O6
• Molecular Weight: 610.80 g/mol
• Exact Mass: 610.37
• IUPAC Name: [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid
• SMILES: CN(CCc1ccccc1)C(=O)C(Cc1ccc(OC(C)(C)C)cc1)N(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
• InChI: InChI=1S/C34H50N4O6/c1-33(2,3)43-28-15-13-27(14-16-28)25-29(30(39)35(7)18-17-26-11-9-8-10-12-26)38(31(40)41)24-21-36-19-22-37(23-20-36)32(42)44-34(4,5)6/h8-16,29H,17-25H2,1-7H3,(H,40,41)
• InChIKey: GVDWOQCFDIXQPS-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.80
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid?

The IUPAC name of [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid (CID 77246182) is [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid.

What is the SMILES notation for [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid?

The canonical SMILES for [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid is CN(CCc1ccccc1)C(=O)C(Cc1ccc(OC(C)(C)C)cc1)N(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O.

What is the InChIKey of [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid?

The InChIKey is GVDWOQCFDIXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4O6/c1-33(2,3)43-28-15-13-27(14-16-28)25-29(30(39)35(7)18-17-26-11-9-8-10-12-26)38(31(40)41)24-21-36-19-22-37(23-20-36)32(42)44-34(4,5)6/h8-16,29H,17-25H2,1-7H3,(H,40,41).

What are the key properties of [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid?

[1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid has a molecular weight of 610.80 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[methyl(2-phenylethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]carbamic acid is sourced from PubChem (CID 77246182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).