ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate

C14H19N3O4 — CID 10334575

IUPACethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H19N3O4/c1-3-21-13(19)9-15-14(20)17(16-11(2)18)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyVPRXVYFAAUBBDU-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.81
Rot. Bonds5

About ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate

ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate (PubChem CID 10334575) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate
PubChem CID10334575
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H19N3O4/c1-3-21-13(19)9-15-14(20)17(16-11(2)18)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyVPRXVYFAAUBBDU-UHFFFAOYSA-N
XLogP0.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate (CID 10334575) is ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(Cc1ccccc1)NC(C)=O.
What is the InChIKey of ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate?
The InChIKey is VPRXVYFAAUBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-13(19)9-15-14(20)17(16-11(2)18)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,15,20)(H,16,18).
What are the key properties of ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate?
ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate has a molecular weight of 293.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[acetamido(benzyl)carbamoyl]amino]acetate is sourced from PubChem (CID 10334575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).