1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C34H41F2N3O4 — CID 163924653

About 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 163924653) has the molecular formula C34H41F2N3O4 and a molecular weight of 593.72 g/mol. Its IUPAC name is 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
• PubChem CID: 163924653
• Molecular Formula: C34H41F2N3O4
• Molecular Weight: 593.72 g/mol
• Exact Mass: 593.31
• IUPAC Name: 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
• SMILES: CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(O)[C@H](O)CN2CCc3ccccc32)c1
• InChI: InChI=1S/C34H41F2N3O4/c1-4-11-38(12-5-2)34(43)26-15-22(3)14-25(19-26)33(42)37-29(18-23-16-27(35)20-28(36)17-23)32(41)31(40)21-39-13-10-24-8-6-7-9-30(24)39/h6-9,14-17,19-20,29,31-32,40-41H,4-5,10-13,18,21H2,1-3H3,(H,37,42)/t29-,31+,32?/m0/s1
• InChIKey: RDJSWOZNQGOVLC-SPZQRESQSA-N
• XLogP: 4.66
• TPSA: 93.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.72
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

The IUPAC name of 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 163924653) is 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

The canonical SMILES for 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(O)[C@H](O)CN2CCc3ccccc32)c1.

What is the InChIKey of 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

The InChIKey is RDJSWOZNQGOVLC-SPZQRESQSA-N. The full InChI is InChI=1S/C34H41F2N3O4/c1-4-11-38(12-5-2)34(43)26-15-22(3)14-25(19-26)33(42)37-29(18-23-16-27(35)20-28(36)17-23)32(41)31(40)21-39-13-10-24-8-6-7-9-30(24)39/h6-9,14-17,19-20,29,31-32,40-41H,4-5,10-13,18,21H2,1-3H3,(H,37,42)/t29-,31+,32?/m0/s1.

What are the key properties of 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 593.72 g/mol, XLogP of 4.66, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[(2S,4R)-1-(3,5-difluorophenyl)-5-(2,3-dihydroindol-1-yl)-3,4-dihydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 163924653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).