2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate

C13H17NO4 — CID 86229096

IUPAC2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate
SMILESCOCCOC(=O)Nc1c(C)cc(C=O)cc1C
InChIInChI=1S/C13H17NO4/c1-9-6-11(8-15)7-10(2)12(9)14-13(16)18-5-4-17-3/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyCZTLEZWVHIMNNR-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.31
Rot. Bonds5

About 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate

2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate (PubChem CID 86229096) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate
PubChem CID86229096
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate
SMILESCOCCOC(=O)Nc1c(C)cc(C=O)cc1C
InChIInChI=1S/C13H17NO4/c1-9-6-11(8-15)7-10(2)12(9)14-13(16)18-5-4-17-3/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyCZTLEZWVHIMNNR-UHFFFAOYSA-N
XLogP2.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
CID 80631733
2-methoxyethyl N-(3,5-diaminophenyl)carbamate
CID 151276673
methyl 4-(4-formyl-2,6-dimethylphenoxy)butanoate
CID 43378050
methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate
CID 46786378
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
propyl N-(2-chloro-4,6-dimethylphenyl)carbamate
CID 19174388
2,2,2-trifluoroethyl N-(2,4,6-trimethylphenyl)carbamate
CID 39871502
2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate
CID 143324799
bis(4-formyl-2,6-dimethylphenyl) carbonate
CID 10019268
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 76870567
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-formylbenzoate
CID 7669047

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate?
The IUPAC name of 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate (CID 86229096) is 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate is COCCOC(=O)Nc1c(C)cc(C=O)cc1C.
What is the InChIKey of 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate?
The InChIKey is CZTLEZWVHIMNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-6-11(8-15)7-10(2)12(9)14-13(16)18-5-4-17-3/h6-8H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate?
2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate has a molecular weight of 251.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(4-formyl-2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 86229096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).