ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate

C15H22N2O4 — CID 71506938

IUPACethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-5-20-13(18)16-17(14(19)21-6-2)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyRVHOZNMXXCTFJQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.04
Rot. Bonds4

About ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate (PubChem CID 71506938) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
PubChem CID71506938
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-5-20-13(18)16-17(14(19)21-6-2)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyRVHOZNMXXCTFJQ-UHFFFAOYSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
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 N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate (CID 71506938) is ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate is CCOC(=O)NN(C(=O)OCC)C(C)(C)c1ccccc1.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate?
The InChIKey is RVHOZNMXXCTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-20-13(18)16-17(14(19)21-6-2)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,18).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 71506938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).