(3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione

C16H25NO6 — CID 6419663

IUPAC(3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione
SMILESCO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C
InChIInChI=1S/C16H25NO6/c1-10-6-5-7-14(18)17-12(3)16(20)22-8-11(2)15(19)23-9-13(10)21-4/h5-6,10-13H,7-9H2,1-4H3,(H,17,18)/b6-5+/t10-,11+,12+,13-/m0/s1
InChIKeyAHIWJYKDBBBJDM-YVZBSQEFSA-N
MW327.38 g/mol
LogP0.82
Rot. Bonds1

About (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione

(3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione (PubChem CID 6419663) has the molecular formula C16H25NO6 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione.

Molecular Properties

Compound Name(3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione
PubChem CID6419663
Molecular FormulaC16H25NO6
Molecular Weight327.38 g/mol
Exact Mass327.17
IUPAC Name(3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione
SMILESCO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C
InChIInChI=1S/C16H25NO6/c1-10-6-5-7-14(18)17-12(3)16(20)22-8-11(2)15(19)23-9-13(10)21-4/h5-6,10-13H,7-9H2,1-4H3,(H,17,18)/b6-5+/t10-,11+,12+,13-/m0/s1
InChIKeyAHIWJYKDBBBJDM-YVZBSQEFSA-N
XLogP0.82
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
The IUPAC name of (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione (CID 6419663) is (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione.
What is the SMILES notation for (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
The canonical SMILES for (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione is CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C.
What is the InChIKey of (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
The InChIKey is AHIWJYKDBBBJDM-YVZBSQEFSA-N. The full InChI is InChI=1S/C16H25NO6/c1-10-6-5-7-14(18)17-12(3)16(20)22-8-11(2)15(19)23-9-13(10)21-4/h5-6,10-13H,7-9H2,1-4H3,(H,17,18)/b6-5+/t10-,11+,12+,13-/m0/s1.
What are the key properties of (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
(3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione has a molecular weight of 327.38 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione is sourced from PubChem (CID 6419663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).