[7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate

C14H20N2O5 — CID 20652207

IUPAC[7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate
SMILESCCNC(=O)C1=COC(OC(=O)NC)C2C1CC1OC12C
InChIInChI=1S/C14H20N2O5/c1-4-16-11(17)8-6-19-12(20-13(18)15-3)10-7(8)5-9-14(10,2)21-9/h6-7,9-10,12H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZFQNSZRVUASEPN-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.51
Rot. Bonds3

About [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate

[7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate (PubChem CID 20652207) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate.

Molecular Properties

Compound Name[7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate
PubChem CID20652207
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate
SMILESCCNC(=O)C1=COC(OC(=O)NC)C2C1CC1OC12C
InChIInChI=1S/C14H20N2O5/c1-4-16-11(17)8-6-19-12(20-13(18)15-3)10-7(8)5-9-14(10,2)21-9/h6-7,9-10,12H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZFQNSZRVUASEPN-UHFFFAOYSA-N
XLogP0.51
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4S,6S,10S)-10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
CID 18397305
(1R,2R,4S,6S,10S)-10-(hexylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
CID 18397307
10-(Ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
CID 19360394
10-(Hexylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
CID 19360418
[7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-(2-chloroethyl)carbamate
CID 20652151
[2-methyl-7-(4-methylpiperazine-1-carbonyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate
CID 20652152
[7-(dimethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N,N-dimethylcarbamate
CID 20652160
[2-methyl-7-(2-sulfanylethylcarbamoyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate
CID 20652161
(7-carbamoyl-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl) N-methylcarbamate
CID 20652163
Methyl 2-methyl-10-(propan-2-ylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 20652205
Methyl 10-(ethylcarbamoyloxy)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 20652208
[(1S,2R,4S,6S,10S)-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate
CID 21226960

Frequently Asked Questions

What is the IUPAC name of [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate?
The IUPAC name of [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate (CID 20652207) is [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate.
What is the SMILES notation for [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate?
The canonical SMILES for [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate is CCNC(=O)C1=COC(OC(=O)NC)C2C1CC1OC12C.
What is the InChIKey of [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate?
The InChIKey is ZFQNSZRVUASEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-16-11(17)8-6-19-12(20-13(18)15-3)10-7(8)5-9-14(10,2)21-9/h6-7,9-10,12H,4-5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate?
[7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate has a molecular weight of 296.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate is sourced from PubChem (CID 20652207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).