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

C18H24N2O5 — CID 4749408

IUPAC(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC23COC4(C)CCC(C)(OC2)N34)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)
InChIKeyKTBKHIRMWPCNOP-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.57
Rot. Bonds4

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

(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate (PubChem CID 4749408) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate
PubChem CID4749408
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC23COC4(C)CCC(C)(OC2)N34)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)
InChIKeyKTBKHIRMWPCNOP-UHFFFAOYSA-N
XLogP2.57
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
[(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
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
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
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
CID 89344820
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
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 (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate (CID 4749408) is (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC23COC4(C)CCC(C)(OC2)N34)cc1.
What is the InChIKey of (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate?
The InChIKey is KTBKHIRMWPCNOP-UHFFFAOYSA-N. 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).
What are the key properties of (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate?
(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate has a molecular weight of 348.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 4749408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).