[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

C25H27ClN2O5 — CID 26805447

About [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (PubChem CID 26805447) has the molecular formula C25H27ClN2O5 and a molecular weight of 470.95 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
• PubChem CID: 26805447
• Molecular Formula: C25H27ClN2O5
• Molecular Weight: 470.95 g/mol
• Exact Mass: 470.16
• IUPAC Name: [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
• SMILES: CCCNC(=O)[C@@H](C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
• InChI: InChI=1S/C25H27ClN2O5/c1-5-12-27-24(30)16(3)33-23(29)14-20-15(2)28(22-11-10-19(32-4)13-21(20)22)25(31)17-6-8-18(26)9-7-17/h6-11,13,16H,5,12,14H2,1-4H3,(H,27,30)/t16-/m1/s1
• InChIKey: JVRRQFSKYVWUCS-MRXNPFEDSA-N
• XLogP: 4.30
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.95
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

The IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (CID 26805447) is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.

What is the SMILES notation for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

The canonical SMILES for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is CCCNC(=O)[C@@H](C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.

What is the InChIKey of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

The InChIKey is JVRRQFSKYVWUCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H27ClN2O5/c1-5-12-27-24(30)16(3)33-23(29)14-20-15(2)28(22-11-10-19(32-4)13-21(20)22)25(31)17-6-8-18(26)9-7-17/h6-11,13,16H,5,12,14H2,1-4H3,(H,27,30)/t16-/m1/s1.

What are the key properties of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate has a molecular weight of 470.95 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 26805447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).