(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

C16H19NO4 — CID 123762242

IUPAC(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
SMILESO=C1CCC=CC[C@@H](O)C(=O)OCC(c2ccccc2)N1
InChIInChI=1S/C16H19NO4/c18-14-9-5-2-6-10-15(19)17-13(11-21-16(14)20)12-7-3-1-4-8-12/h1-5,7-8,13-14,18H,6,9-11H2,(H,17,19)/t13?,14-/m1/s1
InChIKeyJNDBRNJRGGDVPZ-ARLHGKGLSA-N
MW289.33 g/mol
LogP1.49
Rot. Bonds1

About (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione (PubChem CID 123762242) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione.

Molecular Properties

Compound Name(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
PubChem CID123762242
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
SMILESO=C1CCC=CC[C@@H](O)C(=O)OCC(c2ccccc2)N1
InChIInChI=1S/C16H19NO4/c18-14-9-5-2-6-10-15(19)17-13(11-21-16(14)20)12-7-3-1-4-8-12/h1-5,7-8,13-14,18H,6,9-11H2,(H,17,19)/t13?,14-/m1/s1
InChIKeyJNDBRNJRGGDVPZ-ARLHGKGLSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,9E,12R)-12-methyl-3-phenyl-1-oxa-4-azacyclotridec-9-ene-5,13-dione
CID 86714846
2-[(3R,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]-N-[(4-phenylphenyl)methyl]acetamide
CID 123904949
(3R,8Z,11R)-8,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 118867127
(8R,12S)-8-methyl-12-phenyl-1-azacyclododec-5-ene-2,9,10-trione
CID 123974172
[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid
CID 118867248
(5Z,11R)-3-[(4-chlorophenyl)methyl]-11-phenyl-1-oxa-3,10-diazacyclododec-5-ene-2,9-dione
CID 118867096
(5Z,11R)-3-(2-oxo-2-piperidin-1-ylethyl)-11-phenyl-1-oxa-3,10-diazacyclododec-5-ene-2,9-dione
CID 118867314
3-phenyl-1-oxa-4-azacyclododec-8-ene-2,5-dione
CID 6709802
tert-butyl 2-[(3R,8E,11S)-3-(4-chlorophenyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetate
CID 86714942
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
2-[(3R,8E,11S)-3-benzyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid
CID 86715059
(1S,3R,12S)-3-methyl-7-phenyl-5,15-dioxa-8,13-diazabicyclo[10.3.0]pentadecane-4,9,14-trione
CID 118880000

Frequently Asked Questions

What is the IUPAC name of (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The IUPAC name of (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione (CID 123762242) is (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione.
What is the SMILES notation for (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The canonical SMILES for (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione is O=C1CCC=CC[C@@H](O)C(=O)OCC(c2ccccc2)N1.
What is the InChIKey of (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The InChIKey is JNDBRNJRGGDVPZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H19NO4/c18-14-9-5-2-6-10-15(19)17-13(11-21-16(14)20)12-7-3-1-4-8-12/h1-5,7-8,13-14,18H,6,9-11H2,(H,17,19)/t13?,14-/m1/s1.
What are the key properties of (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione has a molecular weight of 289.33 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione is sourced from PubChem (CID 123762242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).