ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate

C13H18N2O4 — CID 108893109

IUPACethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCOc1ccc(C)cc1
InChIInChI=1S/C13H18N2O4/c1-3-18-12(16)8-14-13(17)15-9-19-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyBLRVHNWUJAIOAX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.19
Rot. Bonds6

About ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate

ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate (PubChem CID 108893109) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
PubChem CID108893109
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCOc1ccc(C)cc1
InChIInChI=1S/C13H18N2O4/c1-3-18-12(16)8-14-13(17)15-9-19-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyBLRVHNWUJAIOAX-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
ethyl 4-[[(4-methylphenoxy)methylcarbamoylamino]methyl]benzoate
CID 108893112
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
1-(3-chloropropyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892893
ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate
CID 21426069
ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
CID 108881148
1-[(4-methylphenoxy)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108892984
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 108892885
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-methylphenoxy)methyl]urea
CID 108892925

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate (CID 108893109) is ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCOc1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate?
The InChIKey is BLRVHNWUJAIOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-12(16)8-14-13(17)15-9-19-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate?
ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate has a molecular weight of 266.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate is sourced from PubChem (CID 108893109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).