ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate

C14H18N2O5 — CID 2133145

IUPACethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate
SMILESCCOC(=O)NC(NC(=O)OCC)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c1-3-20-13(18)15-12(16-14(19)21-4-2)11(17)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyNJQPZSRRFOWHEW-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.69
Rot. Bonds6

About ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate

ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate (PubChem CID 2133145) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate
PubChem CID2133145
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nameethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate
SMILESCCOC(=O)NC(NC(=O)OCC)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c1-3-20-13(18)15-12(16-14(19)21-4-2)11(17)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyNJQPZSRRFOWHEW-UHFFFAOYSA-N
XLogP1.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate?
The IUPAC name of ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate (CID 2133145) is ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate.
What is the SMILES notation for ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate?
The canonical SMILES for ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate is CCOC(=O)NC(NC(=O)OCC)C(=O)c1ccccc1.
What is the InChIKey of ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate?
The InChIKey is NJQPZSRRFOWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-20-13(18)15-12(16-14(19)21-4-2)11(17)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate?
ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate has a molecular weight of 294.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(ethoxycarbonylamino)-2-oxo-2-phenylethyl]carbamate is sourced from PubChem (CID 2133145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).