11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione

C21H22N2O4 — CID 134573016

IUPAC11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)cc3n2C(CC3)C2OCCCCN12
InChIInChI=1S/C21H22N2O4/c24-17-12-15-8-9-16-21-22(10-4-5-11-26-21)20(25)18(23(15)16)19(17)27-13-14-6-2-1-3-7-14/h1-3,6-7,12,16,21H,4-5,8-11,13H2
InChIKeyVUSSZYURGSYGOX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.51
Rot. Bonds3

About 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione

11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione (PubChem CID 134573016) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione
PubChem CID134573016
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)cc3n2C(CC3)C2OCCCCN12
InChIInChI=1S/C21H22N2O4/c24-17-12-15-8-9-16-21-22(10-4-5-11-26-21)20(25)18(23(15)16)19(17)27-13-14-6-2-1-3-7-14/h1-3,6-7,12,16,21H,4-5,8-11,13H2
InChIKeyVUSSZYURGSYGOX-UHFFFAOYSA-N
XLogP2.51
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(Z)-pent-3-en-2-yl]-9-phenylmethoxy-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-7,10-dione
CID 156840873
(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 58015337
(1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
CID 134573086
(2S)-2-benzyl-8,11-dioxo-10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid
CID 70368615
(3R)-11-phenylmethoxy-5-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 163595400
7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 76737494
3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 156840822
[(2S,3R)-2-benzyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
CID 172970004
(2S,3R)-13-acetyl-2-benzhydryl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;bis((2S,3S)-13-acetyl-2-benzhydryl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione);(2S,3S)-2-benzhydryl-9,12-dioxo-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid;(2S,3S)-2-benzhydryl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 160989222
(2S,3S)-2-benzyl-11-hydroxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 70368636
(7S,8aR)-8,8-dimethyl-7-phenylmethoxy-3,4,7,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
CID 25228229
N'-[2-(2,4-difluorophenyl)acetyl]-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carbohydrazide
CID 134575671

Frequently Asked Questions

What is the IUPAC name of 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione?
The IUPAC name of 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione (CID 134573016) is 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione.
What is the SMILES notation for 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione?
The canonical SMILES for 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione is O=C1c2c(OCc3ccccc3)c(=O)cc3n2C(CC3)C2OCCCCN12.
What is the InChIKey of 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione?
The InChIKey is VUSSZYURGSYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-17-12-15-8-9-16-21-22(10-4-5-11-26-21)20(25)18(23(15)16)19(17)27-13-14-6-2-1-3-7-14/h1-3,6-7,12,16,21H,4-5,8-11,13H2.
What are the key properties of 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione?
11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione has a molecular weight of 366.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione is sourced from PubChem (CID 134573016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).