hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

C36H51N3O7 — CID 23868203

About hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate (PubChem CID 23868203) has the molecular formula C36H51N3O7 and a molecular weight of 637.82 g/mol. Its IUPAC name is hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate.

Molecular Properties

• Compound Name: hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
• PubChem CID: 23868203
• Molecular Formula: C36H51N3O7
• Molecular Weight: 637.82 g/mol
• Exact Mass: 637.37
• IUPAC Name: hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
• SMILES: C=CCCCCOC(=O)[C@@H]1[C@H]2C(=O)N([C@@H](CO)Cc3ccccc3)C(C(=O)N(CC=C)CCN3CCOCC3)C23CC(C)[C@@]1(C)O3
• InChI: InChI=1S/C36H51N3O7/c1-5-7-8-12-20-45-34(43)30-29-32(41)39(28(25-40)23-27-13-10-9-11-14-27)31(36(29)24-26(3)35(30,4)46-36)33(42)38(15-6-2)17-16-37-18-21-44-22-19-37/h5-6,9-11,13-14,26,28-31,40H,1-2,7-8,12,15-25H2,3-4H3/t26?,28-,29+,30+,31?,35-,36?/m1/s1
• InChIKey: CHELFNFWJSYURB-CYKONKIESA-N
• XLogP: 2.85
• TPSA: 108.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.82
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The IUPAC name of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate (CID 23868203) is hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate.

What is the SMILES notation for hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The canonical SMILES for hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate is C=CCCCCOC(=O)[C@@H]1[C@H]2C(=O)N([C@@H](CO)Cc3ccccc3)C(C(=O)N(CC=C)CCN3CCOCC3)C23CC(C)[C@@]1(C)O3.

What is the InChIKey of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The InChIKey is CHELFNFWJSYURB-CYKONKIESA-N. The full InChI is InChI=1S/C36H51N3O7/c1-5-7-8-12-20-45-34(43)30-29-32(41)39(28(25-40)23-27-13-10-9-11-14-27)31(36(29)24-26(3)35(30,4)46-36)33(42)38(15-6-2)17-16-37-18-21-44-22-19-37/h5-6,9-11,13-14,26,28-31,40H,1-2,7-8,12,15-25H2,3-4H3/t26?,28-,29+,30+,31?,35-,36?/m1/s1.

What are the key properties of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate has a molecular weight of 637.82 g/mol, XLogP of 2.85, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate is sourced from PubChem (CID 23868203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).