N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione

About N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione

N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione (PubChem CID 171538505) has the molecular formula C36H46N2O12 and a molecular weight of 698.77 g/mol. Its IUPAC name is N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione.

Molecular Properties

Compound Name	N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
PubChem CID	171538505
Molecular Formula	C36H46N2O12
Molecular Weight	698.77 g/mol
Exact Mass	698.31
IUPAC Name	N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
SMILES	COC1OCCN2C3CCOC(C)C3O[C@H]12.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)CC3O.O=CNC1CCCC1
InChI	InChI=1S/C19H16O7.C11H19NO4.C6H11NO/c1-26-11-4-2-3-8-13(11)19(25)15-14(16(8)22)17(23)9-5-7(20)6-10(21)12(9)18(15)24;1-7-9-8(3-5-14-7)12-4-6-15-11(13-2)10(12)16-9;8-5-7-6-3-1-2-4-6/h2-4,7,10,20-21,23-24H,5-6H2,1H3;7-11H,3-6H2,1-2H3;5-6H,1-4H2,(H,7,8)/t;7?,8?,9?,10-,11?;/m.1./s1
InChIKey	MFDIDUCOPLOXDV-LXXYIHBMSA-N
XLogP	2.09
TPSA	193.55 Å²
H-Bond Donors	5
H-Bond Acceptors	13
Rotatable Bonds	4
Heavy Atoms	50
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.77
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione?

The IUPAC name of N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione (CID 171538505) is N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione.

What is the SMILES notation for N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione?

The canonical SMILES for N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione is COC1OCCN2C3CCOC(C)C3O[C@H]12.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)CC3O.O=CNC1CCCC1.

What is the InChIKey of N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione?

The InChIKey is MFDIDUCOPLOXDV-LXXYIHBMSA-N. The full InChI is InChI=1S/C19H16O7.C11H19NO4.C6H11NO/c1-26-11-4-2-3-8-13(11)19(25)15-14(16(8)22)17(23)9-5-7(20)6-10(21)12(9)18(15)24;1-7-9-8(3-5-14-7)12-4-6-15-11(13-2)10(12)16-9;8-5-7-6-3-1-2-4-6/h2-4,7,10,20-21,23-24H,5-6H2,1H3;7-11H,3-6H2,1-2H3;5-6H,1-4H2,(H,7,8)/t;7?,8?,9?,10-,11?;/m.1./s1.

What are the key properties of N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione?

N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione has a molecular weight of 698.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione is sourced from PubChem (CID 171538505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).