6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide

C32H44F2N2O4 — CID 123662863

IUPAC6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESCc1ccc(CN(C)CC2CC3(C)C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C)C(=O)N(C)C)o1
InChIInChI=1S/C32H44F2N2O4/c1-19-9-10-22(40-19)18-36(8)17-20-15-29(3)25-14-24(33)23-13-21(37)11-12-28(23,2)32(25,34)26(38)16-30(29,4)31(20,5)27(39)35(6)7/h9-13,20,24-26,38H,14-18H2,1-8H3
InChIKeyBPGWLNGVSJNDEB-UHFFFAOYSA-N
MW558.71 g/mol
LogP5.05
Rot. Bonds5

About 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide

6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide (PubChem CID 123662863) has the molecular formula C32H44F2N2O4 and a molecular weight of 558.71 g/mol. Its IUPAC name is 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide.

Molecular Properties

Compound Name6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide
PubChem CID123662863
Molecular FormulaC32H44F2N2O4
Molecular Weight558.71 g/mol
Exact Mass558.33
IUPAC Name6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESCc1ccc(CN(C)CC2CC3(C)C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C)C(=O)N(C)C)o1
InChIInChI=1S/C32H44F2N2O4/c1-19-9-10-22(40-19)18-36(8)17-20-15-29(3)25-14-24(33)23-13-21(37)11-12-28(23,2)32(25,34)26(38)16-30(29,4)31(20,5)27(39)35(6)7/h9-13,20,24-26,38H,14-18H2,1-8H3
InChIKeyBPGWLNGVSJNDEB-UHFFFAOYSA-N
XLogP5.05
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.71
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide?
The IUPAC name of 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide (CID 123662863) is 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide.
What is the SMILES notation for 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide?
The canonical SMILES for 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide is Cc1ccc(CN(C)CC2CC3(C)C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C)C(=O)N(C)C)o1.
What is the InChIKey of 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide?
The InChIKey is BPGWLNGVSJNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44F2N2O4/c1-19-9-10-22(40-19)18-36(8)17-20-15-29(3)25-14-24(33)23-13-21(37)11-12-28(23,2)32(25,34)26(38)16-30(29,4)31(20,5)27(39)35(6)7/h9-13,20,24-26,38H,14-18H2,1-8H3.
What are the key properties of 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide?
6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide has a molecular weight of 558.71 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-difluoro-11-hydroxy-N,N,10,13,14,17-hexamethyl-16-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-3-oxo-7,8,11,12,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide is sourced from PubChem (CID 123662863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).