(7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate

C26H27N3O6 — CID 177324221

IUPAC(7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC1C=C=CCCCC1)C(=O)Oc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C26H27N3O6/c1-28(25(31)33-19-8-6-4-3-5-7-9-19)14-15-29(2)26(32)34-20-11-13-22-24(17-20)35-23-16-18(30)10-12-21(23)27-22/h4,8,10-13,16-17,19H,3,5,7,9,14-15H2,1-2H3
InChIKeyXGNIVZYFQFAOQR-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.45
Rot. Bonds5

About (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate

(7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 177324221) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name(7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID177324221
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name(7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC1C=C=CCCCC1)C(=O)Oc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C26H27N3O6/c1-28(25(31)33-19-8-6-4-3-5-7-9-19)14-15-29(2)26(32)34-20-11-13-22-24(17-20)35-23-16-18(30)10-12-21(23)27-22/h4,8,10-13,16-17,19H,3,5,7,9,14-15H2,1-2H3
InChIKeyXGNIVZYFQFAOQR-UHFFFAOYSA-N
XLogP4.45
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate with MolForge

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Related Compounds

(7-oxophenoxazin-3-yl) N-[2-[[(2E)-cyclooct-2-en-1-yl]oxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 177324205
2-methylpropyl (7-oxophenoxazin-3-yl) carbonate
CID 4126589
7-(4-hydroxyanilino)phenoxazin-3-one;7-[4-(methoxymethoxy)anilino]phenoxazin-3-one
CID 157403825
2-[(7-oxophenoxazin-3-yl)oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 102224211
methyl 3-[(7-oxophenoxazin-3-yl)oxymethyl]benzoate
CID 176797652
disodium;(7-oxophenoxazin-3-yl) phosphate
CID 171379159
7-[1-(7-oxophenoxazin-3-yl)oxy-2-pentoxyethyl]phenoxazin-3-one
CID 91028133
7-(3-amino-3,4,4-trimethylhex-5-enoxy)phenoxazin-3-one
CID 177394677
7-oxophenoxazine-3-carboxamide
CID 67872147
7-oxophenoxazine-3-carbaldehyde
CID 18627781
(7-oxophenoxazin-3-yl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
CID 139360129
7-chlorophenoxazin-3-one
CID 71114704

Frequently Asked Questions

What is the IUPAC name of (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate (CID 177324221) is (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate is CN(CCN(C)C(=O)OC1C=C=CCCCC1)C(=O)Oc1ccc2nc3ccc(=O)cc-3oc2c1.
What is the InChIKey of (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is XGNIVZYFQFAOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-28(25(31)33-19-8-6-4-3-5-7-9-19)14-15-29(2)26(32)34-20-11-13-22-24(17-20)35-23-16-18(30)10-12-21(23)27-22/h4,8,10-13,16-17,19H,3,5,7,9,14-15H2,1-2H3.
What are the key properties of (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
(7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 477.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxophenoxazin-3-yl) N-[2-[cycloocta-2,3-dien-1-yloxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 177324221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).