ethyl 4-(2-methoxyethylcarbamoylamino)benzoate

C13H18N2O4 — CID 47146237

IUPACethyl 4-(2-methoxyethylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOC)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-12(16)10-4-6-11(7-5-10)15-13(17)14-8-9-18-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyAETPUAPRRDZHAF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.63
Rot. Bonds6

About ethyl 4-(2-methoxyethylcarbamoylamino)benzoate

ethyl 4-(2-methoxyethylcarbamoylamino)benzoate (PubChem CID 47146237) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethylcarbamoylamino)benzoate
PubChem CID47146237
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 4-(2-methoxyethylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOC)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-12(16)10-4-6-11(7-5-10)15-13(17)14-8-9-18-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyAETPUAPRRDZHAF-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(2-methoxyethylcarbamoylamino)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

ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
ethyl 4-[2-(methanesulfonamido)ethylcarbamoylamino]benzoate
CID 74241298
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976938
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
The IUPAC name of ethyl 4-(2-methoxyethylcarbamoylamino)benzoate (CID 47146237) is ethyl 4-(2-methoxyethylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 4-(2-methoxyethylcarbamoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)NCCOC)cc1.
What is the InChIKey of ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
The InChIKey is AETPUAPRRDZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-12(16)10-4-6-11(7-5-10)15-13(17)14-8-9-18-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate has a molecular weight of 266.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethylcarbamoylamino)benzoate is sourced from PubChem (CID 47146237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).