2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate

C19H22N2O4 — CID 55338836

IUPAC2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
SMILESCCc1cccc(OCCOC(=O)c2ccc(CNC(N)=O)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-2-14-4-3-5-17(12-14)24-10-11-25-18(22)16-8-6-15(7-9-16)13-21-19(20)23/h3-9,12H,2,10-11,13H2,1H3,(H3,20,21,23)
InChIKeyWGBLKMLKTVAEIR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds8

About 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate

2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate (PubChem CID 55338836) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
PubChem CID55338836
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
SMILESCCc1cccc(OCCOC(=O)c2ccc(CNC(N)=O)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-2-14-4-3-5-17(12-14)24-10-11-25-18(22)16-8-6-15(7-9-16)13-21-19(20)23/h3-9,12H,2,10-11,13H2,1H3,(H3,20,21,23)
InChIKeyWGBLKMLKTVAEIR-UHFFFAOYSA-N
XLogP2.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate
CID 55318473
4-(3-ethylphenoxy)butanamide
CID 82040637
(3-ethylphenyl)methylurea
CID 70298508
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
CID 119042263
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
3-[2-(3-ethylphenoxy)ethoxy]benzenecarbothioamide
CID 43291286
2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate
CID 55314701
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 33106855

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate (CID 55338836) is 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate is CCc1cccc(OCCOC(=O)c2ccc(CNC(N)=O)cc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate?
The InChIKey is WGBLKMLKTVAEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-14-4-3-5-17(12-14)24-10-11-25-18(22)16-8-6-15(7-9-16)13-21-19(20)23/h3-9,12H,2,10-11,13H2,1H3,(H3,20,21,23).
What are the key properties of 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate?
2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate has a molecular weight of 342.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate is sourced from PubChem (CID 55338836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).