ethyl 2-(carbamoylamino)-2-phenoxyacetate

C11H14N2O4 — CID 154269905

IUPACethyl 2-(carbamoylamino)-2-phenoxyacetate
SMILESCCOC(=O)C(NC(N)=O)Oc1ccccc1
InChIInChI=1S/C11H14N2O4/c1-2-16-10(14)9(13-11(12)15)17-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,15)
InChIKeyNZENNWLYXKSGJR-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.62
Rot. Bonds5

About ethyl 2-(carbamoylamino)-2-phenoxyacetate

ethyl 2-(carbamoylamino)-2-phenoxyacetate (PubChem CID 154269905) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-(carbamoylamino)-2-phenoxyacetate.

Molecular Properties

Compound Nameethyl 2-(carbamoylamino)-2-phenoxyacetate
PubChem CID154269905
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-(carbamoylamino)-2-phenoxyacetate
SMILESCCOC(=O)C(NC(N)=O)Oc1ccccc1
InChIInChI=1S/C11H14N2O4/c1-2-16-10(14)9(13-11(12)15)17-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,15)
InChIKeyNZENNWLYXKSGJR-UHFFFAOYSA-N
XLogP0.62
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.62
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

diethyl 2-phenoxybutanedioate
CID 72766015
2-phenoxy-2-[(2-phenylacetyl)amino]acetamide
CID 54258999
ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
CID 79361865
ethyl 1-phenoxyethyl carbonate
CID 173360681
ethyl 2-phenoxydecanoate
CID 101000092
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
2-(methylamino)-2-phenoxyacetic acid
CID 150857951
methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate
CID 91163691
anisole;ethyl 2-methylpropanoate
CID 177064087
3-methyl-2-phenoxypentanamide
CID 173059765
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(carbamoylamino)-2-phenoxyacetate?
The IUPAC name of ethyl 2-(carbamoylamino)-2-phenoxyacetate (CID 154269905) is ethyl 2-(carbamoylamino)-2-phenoxyacetate.
What is the SMILES notation for ethyl 2-(carbamoylamino)-2-phenoxyacetate?
The canonical SMILES for ethyl 2-(carbamoylamino)-2-phenoxyacetate is CCOC(=O)C(NC(N)=O)Oc1ccccc1.
What is the InChIKey of ethyl 2-(carbamoylamino)-2-phenoxyacetate?
The InChIKey is NZENNWLYXKSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-16-10(14)9(13-11(12)15)17-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,15).
What are the key properties of ethyl 2-(carbamoylamino)-2-phenoxyacetate?
ethyl 2-(carbamoylamino)-2-phenoxyacetate has a molecular weight of 238.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(carbamoylamino)-2-phenoxyacetate is sourced from PubChem (CID 154269905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).