3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane

C28H36N4O6 — CID 142344088

About 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane

3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane (PubChem CID 142344088) has the molecular formula C28H36N4O6 and a molecular weight of 524.62 g/mol. Its IUPAC name is 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane.

Molecular Properties

• Compound Name: 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane
• PubChem CID: 142344088
• Molecular Formula: C28H36N4O6
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.26
• IUPAC Name: 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane
• SMILES: CC(C)C.COc1cc(CC(=O)NCc2cc(CCC(=O)O)on2)ccc1NC(=O)Nc1ccccc1C
• InChI: InChI=1S/C24H26N4O6.C4H10/c1-15-5-3-4-6-19(15)26-24(32)27-20-9-7-16(11-21(20)33-2)12-22(29)25-14-17-13-18(34-28-17)8-10-23(30)31;1-4(2)3/h3-7,9,11,13H,8,10,12,14H2,1-2H3,(H,25,29)(H,30,31)(H2,26,27,32);4H,1-3H3
• InChIKey: GLVYFKGLGDPXQC-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 142.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane?

The IUPAC name of 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane (CID 142344088) is 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane.

What is the SMILES notation for 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane?

The canonical SMILES for 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane is CC(C)C.COc1cc(CC(=O)NCc2cc(CCC(=O)O)on2)ccc1NC(=O)Nc1ccccc1C.

What is the InChIKey of 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane?

The InChIKey is GLVYFKGLGDPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6.C4H10/c1-15-5-3-4-6-19(15)26-24(32)27-20-9-7-16(11-21(20)33-2)12-22(29)25-14-17-13-18(34-28-17)8-10-23(30)31;1-4(2)3/h3-7,9,11,13H,8,10,12,14H2,1-2H3,(H,25,29)(H,30,31)(H2,26,27,32);4H,1-3H3.

What are the key properties of 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane?

3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane has a molecular weight of 524.62 g/mol, XLogP of 5.17, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane is sourced from PubChem (CID 142344088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).