[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid

C18H24N2O6 — CID 118867248

IUPAC[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid
SMILESC[C@@H]1CC(O)C(NC(=O)O)CCC(=O)N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C18H24N2O6/c1-11-9-15(21)13(20-18(24)25)7-8-16(22)19-14(10-26-17(11)23)12-5-3-2-4-6-12/h2-6,11,13-15,20-21H,7-10H2,1H3,(H,19,22)(H,24,25)/t11-,13?,14+,15?/m1/s1
InChIKeyOZKWAOGBWZCXPZ-CMAYJEJSSA-N
MW364.40 g/mol
LogP1.20
Rot. Bonds2

About [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid

[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid (PubChem CID 118867248) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid
PubChem CID118867248
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid
SMILESC[C@@H]1CC(O)C(NC(=O)O)CCC(=O)N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C18H24N2O6/c1-11-9-15(21)13(20-18(24)25)7-8-16(22)19-14(10-26-17(11)23)12-5-3-2-4-6-12/h2-6,11,13-15,20-21H,7-10H2,1H3,(H,19,22)(H,24,25)/t11-,13?,14+,15?/m1/s1
InChIKeyOZKWAOGBWZCXPZ-CMAYJEJSSA-N
XLogP1.20
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid with MolForge

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Related Compounds

(1S,3R,12S)-3-methyl-7-phenyl-5,15-dioxa-8,13-diazabicyclo[10.3.0]pentadecane-4,9,14-trione
CID 118880000
(3R,8Z,11R)-8,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 118867127
(3R,9E,12R)-12-methyl-3-phenyl-1-oxa-4-azacyclotridec-9-ene-5,13-dione
CID 86714846
(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 123762242
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate
CID 10922856
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
2-[(3R,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]-N-[(4-phenylphenyl)methyl]acetamide
CID 123904949
(5R)-3-(4-methylphenyl)-5-phenylmorpholin-2-one
CID 11818002
N-[(1R)-2-hydroxy-1-phenylethyl]-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide
CID 6613902

Frequently Asked Questions

What is the IUPAC name of [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid?
The IUPAC name of [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid (CID 118867248) is [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid.
What is the SMILES notation for [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid?
The canonical SMILES for [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid is C[C@@H]1CC(O)C(NC(=O)O)CCC(=O)N[C@H](c2ccccc2)COC1=O.
What is the InChIKey of [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid?
The InChIKey is OZKWAOGBWZCXPZ-CMAYJEJSSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-11-9-15(21)13(20-18(24)25)7-8-16(22)19-14(10-26-17(11)23)12-5-3-2-4-6-12/h2-6,11,13-15,20-21H,7-10H2,1H3,(H,19,22)(H,24,25)/t11-,13?,14+,15?/m1/s1.
What are the key properties of [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid?
[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid has a molecular weight of 364.40 g/mol, XLogP of 1.20, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid is sourced from PubChem (CID 118867248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).