ethyl 2-[(2-carbamoylphenyl)methylamino]acetate

C12H16N2O3 — CID 60812400

IUPACethyl 2-[(2-carbamoylphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccccc1C(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-17-11(15)8-14-7-9-5-3-4-6-10(9)12(13)16/h3-6,14H,2,7-8H2,1H3,(H2,13,16)
InChIKeyQGACSYJCCVQGQE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.44
Rot. Bonds6

About ethyl 2-[(2-carbamoylphenyl)methylamino]acetate

ethyl 2-[(2-carbamoylphenyl)methylamino]acetate (PubChem CID 60812400) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[(2-carbamoylphenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-carbamoylphenyl)methylamino]acetate
PubChem CID60812400
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[(2-carbamoylphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccccc1C(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-17-11(15)8-14-7-9-5-3-4-6-10(9)12(13)16/h3-6,14H,2,7-8H2,1H3,(H2,13,16)
InChIKeyQGACSYJCCVQGQE-UHFFFAOYSA-N
XLogP0.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-carbamoylphenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-carbamoylphenyl)methylamino]acetate (CID 60812400) is ethyl 2-[(2-carbamoylphenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-carbamoylphenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-carbamoylphenyl)methylamino]acetate is CCOC(=O)CNCc1ccccc1C(N)=O.
What is the InChIKey of ethyl 2-[(2-carbamoylphenyl)methylamino]acetate?
The InChIKey is QGACSYJCCVQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-17-11(15)8-14-7-9-5-3-4-6-10(9)12(13)16/h3-6,14H,2,7-8H2,1H3,(H2,13,16).
What are the key properties of ethyl 2-[(2-carbamoylphenyl)methylamino]acetate?
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate has a molecular weight of 236.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-carbamoylphenyl)methylamino]acetate is sourced from PubChem (CID 60812400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).