(6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C28H39FN2O4 — CID 58326272

IUPAC(6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1)C(CO)CCC(=O)CCCF
InChIInChI=1S/C28H39FN2O4/c1-30(22(18-32)7-8-23(33)4-3-13-29)28(34)21-6-10-27-25(17-21)24-16-20(5-9-26(24)31(27)2)19-11-14-35-15-12-19/h6,10,17,19-20,22,32H,3-5,7-9,11-16,18H2,1-2H3/t20-,22?/m1/s1
InChIKeyWCJOKCVDJGEXRC-PSDZMVHGSA-N
MW486.63 g/mol
LogP4.24
Rot. Bonds10

About (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

(6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 58326272) has the molecular formula C28H39FN2O4 and a molecular weight of 486.63 g/mol. Its IUPAC name is (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID58326272
Molecular FormulaC28H39FN2O4
Molecular Weight486.63 g/mol
Exact Mass486.29
IUPAC Name(6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1)C(CO)CCC(=O)CCCF
InChIInChI=1S/C28H39FN2O4/c1-30(22(18-32)7-8-23(33)4-3-13-29)28(34)21-6-10-27-25(17-21)24-16-20(5-9-26(24)31(27)2)19-11-14-35-15-12-19/h6,10,17,19-20,22,32H,3-5,7-9,11-16,18H2,1-2H3/t20-,22?/m1/s1
InChIKeyWCJOKCVDJGEXRC-PSDZMVHGSA-N
XLogP4.24
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 58326272) is (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CN(C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1)C(CO)CCC(=O)CCCF.
What is the InChIKey of (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is WCJOKCVDJGEXRC-PSDZMVHGSA-N. The full InChI is InChI=1S/C28H39FN2O4/c1-30(22(18-32)7-8-23(33)4-3-13-29)28(34)21-6-10-27-25(17-21)24-16-20(5-9-26(24)31(27)2)19-11-14-35-15-12-19/h6,10,17,19-20,22,32H,3-5,7-9,11-16,18H2,1-2H3/t20-,22?/m1/s1.
What are the key properties of (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
(6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 486.63 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(8-fluoro-1-hydroxy-5-oxooctan-2-yl)-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 58326272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).