N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen

C50H92N2O3 — CID 162087436

About N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen

N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen (PubChem CID 162087436) has the molecular formula C50H92N2O3 and a molecular weight of 769.30 g/mol. Its IUPAC name is N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen
• PubChem CID: 162087436
• Molecular Formula: C50H92N2O3
• Molecular Weight: 769.30 g/mol
• Exact Mass: 768.71
• IUPAC Name: N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen
• SMILES: C=CCC1O[C@H](OC[C@H](NC(=O)C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC)[C@H](N)CCCC(C)(C)C)[C@@H](C=C)C(C=C)[C@H]1C=C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C50H44N2O3.24H2/c1-9-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-39-48(53)52-46(45(51)38-36-40-50(6,7)8)41-54-49-44(13-5)42(11-3)43(12-4)47(55-49)37-10-2;;;;;;;;;;;;;;;;;;;;;;;;/h10-13,42-47,49H,2-5,36-38,40-41,51H2,1,6-8H3,(H,52,53);24*1H/t42?,43-,44+,45-,46+,47?,49+;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1
• InChIKey: ZDDQVAMRKDZKAI-QOFGWZRTSA-N
• XLogP: 10.70
• TPSA: 73.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.30
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen?

The IUPAC name of N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen (CID 162087436) is N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen.

What is the SMILES notation for N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen?

The canonical SMILES for N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen is C=CCC1O[C@H](OC[C@H](NC(=O)C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC)[C@H](N)CCCC(C)(C)C)[C@@H](C=C)C(C=C)[C@H]1C=C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen?

The InChIKey is ZDDQVAMRKDZKAI-QOFGWZRTSA-N. The full InChI is InChI=1S/C50H44N2O3.24H2/c1-9-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-39-48(53)52-46(45(51)38-36-40-50(6,7)8)41-54-49-44(13-5)42(11-3)43(12-4)47(55-49)37-10-2;;;;;;;;;;;;;;;;;;;;;;;;/h10-13,42-47,49H,2-5,36-38,40-41,51H2,1,6-8H3,(H,52,53);24*1H/t42?,43-,44+,45-,46+,47?,49+;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1.

What are the key properties of N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen?

N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen has a molecular weight of 769.30 g/mol, XLogP of 10.70, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R)-3-amino-7,7-dimethyl-1-[(2S,3S,5R)-3,4,5-tris(ethenyl)-6-prop-2-enyloxan-2-yl]oxyoctan-2-yl]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynamide;molecular hydrogen is sourced from PubChem (CID 162087436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).