[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate

C18H25N2O5+ — CID 7263551

IUPAC[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC23CO[C@]4(C)CC[C@](C)(OC2)[NH+]34)cc1
InChIInChI=1S/C18H24N2O5/c1-16-8-9-17(2)20(16)18(11-24-16,12-25-17)10-23-15(21)19-13-4-6-14(22-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,19,21)/p+1/t16-,17+,18?
InChIKeyKTBKHIRMWPCNOP-JWTNVVGKSA-O
MW349.41 g/mol
LogP1.15
Rot. Bonds4

About [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate

[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate (PubChem CID 7263551) has the molecular formula C18H25N2O5+ and a molecular weight of 349.41 g/mol. Its IUPAC name is [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
PubChem CID7263551
Molecular FormulaC18H25N2O5+
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC23CO[C@]4(C)CC[C@](C)(OC2)[NH+]34)cc1
InChIInChI=1S/C18H24N2O5/c1-16-8-9-17(2)20(16)18(11-24-16,12-25-17)10-23-15(21)19-13-4-6-14(22-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,19,21)/p+1/t16-,17+,18?
InChIKeyKTBKHIRMWPCNOP-JWTNVVGKSA-O
XLogP1.15
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate with MolForge

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Related Compounds

3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate
CID 6929334
(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate
CID 4749408
[(1S,7S)-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263555
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
CID 89344820
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
CID 4077070
N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100779113
[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate
CID 10471889

Frequently Asked Questions

What is the IUPAC name of [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate (CID 7263551) is [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC23CO[C@]4(C)CC[C@](C)(OC2)[NH+]34)cc1.
What is the InChIKey of [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate?
The InChIKey is KTBKHIRMWPCNOP-JWTNVVGKSA-O. The full InChI is InChI=1S/C18H24N2O5/c1-16-8-9-17(2)20(16)18(11-24-16,12-25-17)10-23-15(21)19-13-4-6-14(22-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,19,21)/p+1/t16-,17+,18?.
What are the key properties of [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate?
[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate has a molecular weight of 349.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 7263551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).