methyl 2-(2-phenoxyethylcarbamoylamino)acetate

C12H16N2O4 — CID 108887152

IUPACmethyl 2-(2-phenoxyethylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NCCOc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-17-11(15)9-14-12(16)13-7-8-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,16)
InChIKeyJRNNNRCOOUDOMV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.54
Rot. Bonds6

About methyl 2-(2-phenoxyethylcarbamoylamino)acetate

methyl 2-(2-phenoxyethylcarbamoylamino)acetate (PubChem CID 108887152) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-(2-phenoxyethylcarbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-phenoxyethylcarbamoylamino)acetate
PubChem CID108887152
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 2-(2-phenoxyethylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NCCOc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-17-11(15)9-14-12(16)13-7-8-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,16)
InChIKeyJRNNNRCOOUDOMV-UHFFFAOYSA-N
XLogP0.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
CID 95986154
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 142063187
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
(2R)-3-methyl-2-(2-phenoxyethylcarbamoylamino)butanoic acid
CID 79009824
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-(4-phenoxyphenoxy)ethylcarbamothioic S-acid
CID 88759016
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenoxyethylcarbamoylamino)acetate?
The IUPAC name of methyl 2-(2-phenoxyethylcarbamoylamino)acetate (CID 108887152) is methyl 2-(2-phenoxyethylcarbamoylamino)acetate.
What is the SMILES notation for methyl 2-(2-phenoxyethylcarbamoylamino)acetate?
The canonical SMILES for methyl 2-(2-phenoxyethylcarbamoylamino)acetate is COC(=O)CNC(=O)NCCOc1ccccc1.
What is the InChIKey of methyl 2-(2-phenoxyethylcarbamoylamino)acetate?
The InChIKey is JRNNNRCOOUDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-11(15)9-14-12(16)13-7-8-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,16).
What are the key properties of methyl 2-(2-phenoxyethylcarbamoylamino)acetate?
methyl 2-(2-phenoxyethylcarbamoylamino)acetate has a molecular weight of 252.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenoxyethylcarbamoylamino)acetate is sourced from PubChem (CID 108887152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).