10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione

C26H32N2O6 — CID 46284651

IUPAC10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione
SMILESCOc1ccccc1CN1C(=O)C2CC(=O)OC23C1C(=O)N(C1CCCCCC1)C3CC(C)=O
InChIInChI=1S/C26H32N2O6/c1-16(29)13-21-26-19(14-22(30)34-26)24(31)27(15-17-9-7-8-12-20(17)33-2)23(26)25(32)28(21)18-10-5-3-4-6-11-18/h7-9,12,18-19,21,23H,3-6,10-11,13-15H2,1-2H3
InChIKeyLITYVKNFWLHDBI-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.62
Rot. Bonds6

About 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione

10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione (PubChem CID 46284651) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione.

Molecular Properties

Compound Name10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione
PubChem CID46284651
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione
SMILESCOc1ccccc1CN1C(=O)C2CC(=O)OC23C1C(=O)N(C1CCCCCC1)C3CC(C)=O
InChIInChI=1S/C26H32N2O6/c1-16(29)13-21-26-19(14-22(30)34-26)24(31)27(15-17-9-7-8-12-20(17)33-2)23(26)25(32)28(21)18-10-5-3-4-6-11-18/h7-9,12,18-19,21,23H,3-6,10-11,13-15H2,1-2H3
InChIKeyLITYVKNFWLHDBI-UHFFFAOYSA-N
XLogP2.62
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione with MolForge

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Related Compounds

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CID 55257955
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
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1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
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CID 64875276
1-cyclohexyl-N-[(2-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 134798829
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CID 4780704
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1-(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methoxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione?
The IUPAC name of 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione (CID 46284651) is 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione.
What is the SMILES notation for 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione?
The canonical SMILES for 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione is COc1ccccc1CN1C(=O)C2CC(=O)OC23C1C(=O)N(C1CCCCCC1)C3CC(C)=O.
What is the InChIKey of 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione?
The InChIKey is LITYVKNFWLHDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-16(29)13-21-26-19(14-22(30)34-26)24(31)27(15-17-9-7-8-12-20(17)33-2)23(26)25(32)28(21)18-10-5-3-4-6-11-18/h7-9,12,18-19,21,23H,3-6,10-11,13-15H2,1-2H3.
What are the key properties of 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione?
10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione has a molecular weight of 468.55 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione is sourced from PubChem (CID 46284651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).