[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid

C12H15NO5 — CID 90358271

IUPAC[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid
SMILESCOc1cc(OC)cc(C(=O)CN(C)C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-13(12(15)16)7-11(14)8-4-9(17-2)6-10(5-8)18-3/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFKNOLUUFXOZJHU-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.50
Rot. Bonds5

About [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid

[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid (PubChem CID 90358271) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid
PubChem CID90358271
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid
SMILESCOc1cc(OC)cc(C(=O)CN(C)C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-13(12(15)16)7-11(14)8-4-9(17-2)6-10(5-8)18-3/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFKNOLUUFXOZJHU-UHFFFAOYSA-N
XLogP1.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide
CID 90359222
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
N-(2-bromoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 80659809
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
N-(2-bromopropyl)-3,5-dimethoxy-N-methylbenzamide
CID 80665087
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 129319908
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid?
The IUPAC name of [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid (CID 90358271) is [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid.
What is the SMILES notation for [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid?
The canonical SMILES for [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid is COc1cc(OC)cc(C(=O)CN(C)C(=O)O)c1.
What is the InChIKey of [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid?
The InChIKey is FKNOLUUFXOZJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-13(12(15)16)7-11(14)8-4-9(17-2)6-10(5-8)18-3/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid?
[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid has a molecular weight of 253.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid is sourced from PubChem (CID 90358271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).