ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate

C13H18N2O4 — CID 23823192

IUPACethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C13H18N2O4/c1-4-18-12(16)9-19-11-7-5-10(6-8-11)14-13(17)15(2)3/h5-8H,4,9H2,1-3H3,(H,14,17)
InChIKeyXNTBKIAVTQPMQB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.72
Rot. Bonds5

About ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate

ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate (PubChem CID 23823192) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
PubChem CID23823192
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C13H18N2O4/c1-4-18-12(16)9-19-11-7-5-10(6-8-11)14-13(17)15(2)3/h5-8H,4,9H2,1-3H3,(H,14,17)
InChIKeyXNTBKIAVTQPMQB-UHFFFAOYSA-N
XLogP1.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate 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

ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
ethyl 2-[4-[(2,2,2-trichloroacetyl)amino]phenoxy]acetate
CID 2725562
ethyl 4-(4-acetamidophenoxy)-3-oxobutanoate
CID 60643861
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
CID 100781586
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate (CID 23823192) is ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)N(C)C)cc1.
What is the InChIKey of ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate?
The InChIKey is XNTBKIAVTQPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-18-12(16)9-19-11-7-5-10(6-8-11)14-13(17)15(2)3/h5-8H,4,9H2,1-3H3,(H,14,17).
What are the key properties of ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate?
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate has a molecular weight of 266.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate is sourced from PubChem (CID 23823192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).