9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide

C20H29F3N2O5 — CID 131967792

IUPAC9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide
SMILESNC(=O)C1CC2C(CC1O)CC1CC3C(C(=O)C1C2O)C(O)C(N)CC3C(F)(F)F
InChIInChI=1S/C20H29F3N2O5/c21-20(22,23)11-5-12(24)17(28)15-9(11)2-7-1-6-3-13(26)10(19(25)30)4-8(6)16(27)14(7)18(15)29/h6-17,26-28H,1-5,24H2,(H2,25,30)
InChIKeyDYFHCJITYUEWBP-UHFFFAOYSA-N
MW434.46 g/mol
LogP-0.05
Rot. Bonds1

About 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide

9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide (PubChem CID 131967792) has the molecular formula C20H29F3N2O5 and a molecular weight of 434.46 g/mol. Its IUPAC name is 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide.

Molecular Properties

Compound Name9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide
PubChem CID131967792
Molecular FormulaC20H29F3N2O5
Molecular Weight434.46 g/mol
Exact Mass434.20
IUPAC Name9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide
SMILESNC(=O)C1CC2C(CC1O)CC1CC3C(C(=O)C1C2O)C(O)C(N)CC3C(F)(F)F
InChIInChI=1S/C20H29F3N2O5/c21-20(22,23)11-5-12(24)17(28)15-9(11)2-7-1-6-3-13(26)10(19(25)30)4-8(6)16(27)14(7)18(15)29/h6-17,26-28H,1-5,24H2,(H2,25,30)
InChIKeyDYFHCJITYUEWBP-UHFFFAOYSA-N
XLogP-0.05
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide?
The IUPAC name of 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide (CID 131967792) is 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide.
What is the SMILES notation for 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide?
The canonical SMILES for 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide is NC(=O)C1CC2C(CC1O)CC1CC3C(C(=O)C1C2O)C(O)C(N)CC3C(F)(F)F.
What is the InChIKey of 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide?
The InChIKey is DYFHCJITYUEWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O5/c21-20(22,23)11-5-12(24)17(28)15-9(11)2-7-1-6-3-13(26)10(19(25)30)4-8(6)16(27)14(7)18(15)29/h6-17,26-28H,1-5,24H2,(H2,25,30).
What are the key properties of 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide?
9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide has a molecular weight of 434.46 g/mol, XLogP of -0.05, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3,10,12-trihydroxy-11-oxo-7-(trifluoromethyl)-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11a,12,12a-hexadecahydro-1H-tetracene-2-carboxamide is sourced from PubChem (CID 131967792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).