[3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid

C32H46N4O9 — CID 68742069

About [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid

[3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid (PubChem CID 68742069) has the molecular formula C32H46N4O9 and a molecular weight of 630.74 g/mol. Its IUPAC name is [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid
• PubChem CID: 68742069
• Molecular Formula: C32H46N4O9
• Molecular Weight: 630.74 g/mol
• Exact Mass: 630.33
• IUPAC Name: [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid
• SMILES: CC(C)(C)OC(=O)NC(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(O)CNCC(O)C(Cc1ccccc1)NC(=O)O
• InChI: InChI=1S/C32H46N4O9/c1-32(2,3)45-31(42)35-26(18-23-9-11-24(12-10-23)44-21-29(39)36-13-15-43-16-14-36)28(38)20-33-19-27(37)25(34-30(40)41)17-22-7-5-4-6-8-22/h4-12,25-28,33-34,37-38H,13-21H2,1-3H3,(H,35,42)(H,40,41)
• InChIKey: LIZZMIDEADLYCW-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 178.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.74
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid?

The IUPAC name of [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid (CID 68742069) is [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid.

What is the SMILES notation for [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid?

The canonical SMILES for [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid is CC(C)(C)OC(=O)NC(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(O)CNCC(O)C(Cc1ccccc1)NC(=O)O.

What is the InChIKey of [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid?

The InChIKey is LIZZMIDEADLYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O9/c1-32(2,3)45-31(42)35-26(18-23-9-11-24(12-10-23)44-21-29(39)36-13-15-43-16-14-36)28(38)20-33-19-27(37)25(34-30(40)41)17-22-7-5-4-6-8-22/h4-12,25-28,33-34,37-38H,13-21H2,1-3H3,(H,35,42)(H,40,41).

What are the key properties of [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid?

[3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid has a molecular weight of 630.74 g/mol, XLogP of 1.55, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamic acid is sourced from PubChem (CID 68742069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).