(2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide

C26H29Cl2N3O4 — CID 118622844

About (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide

(2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide (PubChem CID 118622844) has the molecular formula C26H29Cl2N3O4 and a molecular weight of 518.44 g/mol. Its IUPAC name is (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide.

Molecular Properties

• Compound Name: (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide
• PubChem CID: 118622844
• Molecular Formula: C26H29Cl2N3O4
• Molecular Weight: 518.44 g/mol
• Exact Mass: 517.15
• IUPAC Name: (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide
• SMILES: C=CC[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C(CCC)C(=O)NNC(C)=O)C1=O
• InChI: InChI=1S/C26H29Cl2N3O4/c1-4-7-21(25(33)30-29-16(3)32)31-23(17-11-13-19(27)14-12-17)24(18-9-6-10-20(28)15-18)35-22(8-5-2)26(31)34/h5-6,9-15,21-24H,2,4,7-8H2,1,3H3,(H,29,32)(H,30,33)/t21?,22-,23+,24-/m0/s1
• InChIKey: LODXARSBJMIULP-NHYNNZIHSA-N
• XLogP: 4.92
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.44
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide?

The IUPAC name of (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide (CID 118622844) is (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide.

What is the SMILES notation for (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide?

The canonical SMILES for (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide is C=CC[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C(CCC)C(=O)NNC(C)=O)C1=O.

What is the InChIKey of (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide?

The InChIKey is LODXARSBJMIULP-NHYNNZIHSA-N. The full InChI is InChI=1S/C26H29Cl2N3O4/c1-4-7-21(25(33)30-29-16(3)32)31-23(17-11-13-19(27)14-12-17)24(18-9-6-10-20(28)15-18)35-22(8-5-2)26(31)34/h5-6,9-15,21-24H,2,4,7-8H2,1,3H3,(H,29,32)(H,30,33)/t21?,22-,23+,24-/m0/s1.

What are the key properties of (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide?

(2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide has a molecular weight of 518.44 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N'-acetyl-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanehydrazide is sourced from PubChem (CID 118622844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).