ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate

C15H20N2O5 — CID 12734045

IUPACethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O5/c1-4-21-14(19)16-17(15(20)22-5-2)11(3)13(18)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,19)
InChIKeyHGYFRXLXMVNYFC-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.38
Rot. Bonds5

About ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate (PubChem CID 12734045) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
PubChem CID12734045
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O5/c1-4-21-14(19)16-17(15(20)22-5-2)11(3)13(18)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,19)
InChIKeyHGYFRXLXMVNYFC-UHFFFAOYSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate
CID 101184961
5-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-5-phenylpentanoic acid
CID 71507973
ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate
CID 71507971
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 135056008
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
phenyl 2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanoate
CID 101057216
propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 91747711
ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl 2-benzoyl-3-methylpent-4-enoate
CID 11447973
ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 3090786

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate (CID 12734045) is ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate is CCOC(=O)NN(C(=O)OCC)C(C)C(=O)c1ccccc1.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The InChIKey is HGYFRXLXMVNYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-21-14(19)16-17(15(20)22-5-2)11(3)13(18)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,19).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate has a molecular weight of 308.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 12734045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).