(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one

C17H33NO2 — CID 56945344

IUPAC(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one
SMILESCC[C@@H]1CCCNC(=O)[C@H](C)[C@H](O)CC[C@H](C)CCC1
InChIInChI=1S/C17H33NO2/c1-4-15-8-5-7-13(2)10-11-16(19)14(3)17(20)18-12-6-9-15/h13-16,19H,4-12H2,1-3H3,(H,18,20)/t13-,14-,15+,16-/m1/s1
InChIKeyXQFKUWFZAFNCKY-LVQVYYBASA-N
MW283.46 g/mol
LogP3.51
Rot. Bonds1

About (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one

(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one (PubChem CID 56945344) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one.

Molecular Properties

Compound Name(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one
PubChem CID56945344
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one
SMILESCC[C@@H]1CCCNC(=O)[C@H](C)[C@H](O)CC[C@H](C)CCC1
InChIInChI=1S/C17H33NO2/c1-4-15-8-5-7-13(2)10-11-16(19)14(3)17(20)18-12-6-9-15/h13-16,19H,4-12H2,1-3H3,(H,18,20)/t13-,14-,15+,16-/m1/s1
InChIKeyXQFKUWFZAFNCKY-LVQVYYBASA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one?
The IUPAC name of (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one (CID 56945344) is (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one.
What is the SMILES notation for (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one?
The canonical SMILES for (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one is CC[C@@H]1CCCNC(=O)[C@H](C)[C@H](O)CC[C@H](C)CCC1.
What is the InChIKey of (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one?
The InChIKey is XQFKUWFZAFNCKY-LVQVYYBASA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-15-8-5-7-13(2)10-11-16(19)14(3)17(20)18-12-6-9-15/h13-16,19H,4-12H2,1-3H3,(H,18,20)/t13-,14-,15+,16-/m1/s1.
What are the key properties of (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one?
(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one has a molecular weight of 283.46 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one is sourced from PubChem (CID 56945344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).