ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate

C11H12N2O4 — CID 117344331

IUPACethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C11H12N2O4/c1-2-17-10(15)9(14)7-4-3-5-8(6-7)13-11(12)16/h3-6H,2H2,1H3,(H3,12,13,16)
InChIKeyNFKSAOZXYVRRKR-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.92
Rot. Bonds4

About ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate

ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate (PubChem CID 117344331) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate
PubChem CID117344331
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Nameethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C11H12N2O4/c1-2-17-10(15)9(14)7-4-3-5-8(6-7)13-11(12)16/h3-6H,2H2,1H3,(H3,12,13,16)
InChIKeyNFKSAOZXYVRRKR-UHFFFAOYSA-N
XLogP0.92
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(carbamoylamino)benzoate
CID 2822841
ethyl 2-oxo-2-(3-phenylphenyl)acetate
CID 42639767
ethyl 3-acetamidobenzoate
CID 700589
ethyl 2-oxo-2-phenylacetate
CID 15349
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
(4-methylphenyl) 3-(carbamoylamino)benzoate
CID 47098186
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl 2-[3-(1-fluoroethyl)phenyl]-2-oxoacetate
CID 117321599
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 2-[3-(2-hydroxy-2-methylpropyl)phenyl]-2-oxoacetate
CID 117108883
ethyl 2-[3-(2,2-difluoroethyl)phenyl]-2-oxoacetate
CID 117357101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate (CID 117344331) is ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate is CCOC(=O)C(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate?
The InChIKey is NFKSAOZXYVRRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-2-17-10(15)9(14)7-4-3-5-8(6-7)13-11(12)16/h3-6H,2H2,1H3,(H3,12,13,16).
What are the key properties of ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate?
ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate has a molecular weight of 236.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate is sourced from PubChem (CID 117344331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).