(1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone

C24H40N2O7 — CID 59154575

IUPAC(1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
SMILESCC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@]12C
InChIInChI=1S/C24H40N2O7/c1-10-17-24(8)20(26(25)22(30)33-24)14(4)18(27)12(2)11-23(7,31-9)16(6)13(3)19(28)15(5)21(29)32-17/h12-17,20H,10-11,25H2,1-9H3/t12-,13-,14+,15-,16-,17-,20-,23-,24-/m1/s1
InChIKeyIBUCMKQPQJMVBK-IYTUSZSLSA-N
MW468.59 g/mol
LogP2.89
Rot. Bonds2

About (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone

(1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone (PubChem CID 59154575) has the molecular formula C24H40N2O7 and a molecular weight of 468.59 g/mol. Its IUPAC name is (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone.

Molecular Properties

Compound Name(1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
PubChem CID59154575
Molecular FormulaC24H40N2O7
Molecular Weight468.59 g/mol
Exact Mass468.28
IUPAC Name(1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
SMILESCC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@]12C
InChIInChI=1S/C24H40N2O7/c1-10-17-24(8)20(26(25)22(30)33-24)14(4)18(27)12(2)11-23(7,31-9)16(6)13(3)19(28)15(5)21(29)32-17/h12-17,20H,10-11,25H2,1-9H3/t12-,13-,14+,15-,16-,17-,20-,23-,24-/m1/s1
InChIKeyIBUCMKQPQJMVBK-IYTUSZSLSA-N
XLogP2.89
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone?
The IUPAC name of (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone (CID 59154575) is (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone.
What is the SMILES notation for (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone?
The canonical SMILES for (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone is CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@]12C.
What is the InChIKey of (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone?
The InChIKey is IBUCMKQPQJMVBK-IYTUSZSLSA-N. The full InChI is InChI=1S/C24H40N2O7/c1-10-17-24(8)20(26(25)22(30)33-24)14(4)18(27)12(2)11-23(7,31-9)16(6)13(3)19(28)15(5)21(29)32-17/h12-17,20H,10-11,25H2,1-9H3/t12-,13-,14+,15-,16-,17-,20-,23-,24-/m1/s1.
What are the key properties of (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone?
(1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone has a molecular weight of 468.59 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7R,8R,9R,11R,13R,14R)-15-amino-2-ethyl-9-methoxy-1,5,7,8,9,11,13-heptamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone is sourced from PubChem (CID 59154575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).