2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide

C34H61N5O10 — CID 174068432

About 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide

2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide (PubChem CID 174068432) has the molecular formula C34H61N5O10 and a molecular weight of 699.89 g/mol. Its IUPAC name is 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide.

Molecular Properties

• Compound Name: 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide
• PubChem CID: 174068432
• Molecular Formula: C34H61N5O10
• Molecular Weight: 699.89 g/mol
• Exact Mass: 699.44
• IUPAC Name: 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide
• SMILES: CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](OC2OC(CNCC(N)=O)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)CN[C@H](C)[C@H]2NC(=O)O[C@@]21CC
• InChI: InChI=1S/C34H61N5O10/c1-11-24-34(12-2)28(38-32(44)49-34)21(6)37-15-18(3)14-33(7,45-10)29(19(4)26(41)20(5)30(43)47-24)48-31-27(42)23(39(8)9)13-22(46-31)16-36-17-25(35)40/h18-24,27-29,31,36-37,42H,11-17H2,1-10H3,(H2,35,40)(H,38,44)/t18-,19+,20?,21-,22?,23?,24-,27?,28-,29-,31?,33-,34-/m1/s1
• InChIKey: UEJWLYXHFZHFGG-VUTWCUNTSA-N
• XLogP: 0.70
• TPSA: 200.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.89
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide?

The IUPAC name of 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide (CID 174068432) is 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide.

What is the SMILES notation for 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide?

The canonical SMILES for 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide is CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](OC2OC(CNCC(N)=O)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)CN[C@H](C)[C@H]2NC(=O)O[C@@]21CC.

What is the InChIKey of 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide?

The InChIKey is UEJWLYXHFZHFGG-VUTWCUNTSA-N. The full InChI is InChI=1S/C34H61N5O10/c1-11-24-34(12-2)28(38-32(44)49-34)21(6)37-15-18(3)14-33(7,45-10)29(19(4)26(41)20(5)30(43)47-24)48-31-27(42)23(39(8)9)13-22(46-31)16-36-17-25(35)40/h18-24,27-29,31,36-37,42H,11-17H2,1-10H3,(H2,35,40)(H,38,44)/t18-,19+,20?,21-,22?,23?,24-,27?,28-,29-,31?,33-,34-/m1/s1.

What are the key properties of 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide?

2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide has a molecular weight of 699.89 g/mol, XLogP of 0.70, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[(1S,2R,7R,8R,9R,11R,14R,15R)-1,2-diethyl-9-methoxy-5,7,9,11,14-pentamethyl-4,6,17-trioxo-3,18-dioxa-13,16-diazabicyclo[13.3.0]octadecan-8-yl]oxy]-4-(dimethylamino)-5-hydroxyoxan-2-yl]methylamino]acetamide is sourced from PubChem (CID 174068432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).