[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate

C11H13NO5 — CID 119090108

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
SMILESCOc1ccc(OC)c(C(=O)COC(N)=O)c1
InChIInChI=1S/C11H13NO5/c1-15-7-3-4-10(16-2)8(5-7)9(13)6-17-11(12)14/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyBDKGGBUIDDQRBX-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.98
Rot. Bonds5

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate (PubChem CID 119090108) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
PubChem CID119090108
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
SMILESCOc1ccc(OC)c(C(=O)COC(N)=O)c1
InChIInChI=1S/C11H13NO5/c1-15-7-3-4-10(16-2)8(5-7)9(13)6-17-11(12)14/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyBDKGGBUIDDQRBX-UHFFFAOYSA-N
XLogP0.98
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2360410
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7875123
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667364

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate (CID 119090108) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate is COc1ccc(OC)c(C(=O)COC(N)=O)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate?
The InChIKey is BDKGGBUIDDQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-7-3-4-10(16-2)8(5-7)9(13)6-17-11(12)14/h3-5H,6H2,1-2H3,(H2,12,14).
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate has a molecular weight of 239.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate is sourced from PubChem (CID 119090108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).