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

C15H20N2O5 — CID 102159157

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

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

ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate (PubChem CID 102159157) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate
PubChem CID102159157
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C(C)(C=O)c1ccccc1
InChIInChI=1S/C15H20N2O5/c1-4-21-13(19)16-17(14(20)22-5-2)15(3,11-18)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,19)
InChIKeyMETMMBGRAINDBT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 139246635
ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid
CID 134841276
methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-phenylsulfanylacetate
CID 16726971
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate
CID 11254332
ethyl N-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-N-(ethoxycarbonylamino)carbamate
CID 134941137
ethyl N-[benzyl(tert-butyl)amino]carbamate
CID 142916028
ethyl (2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-oxo-2-phenylpropanoate
CID 102590683
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
ethyl 2-methyl-3-oxo-3-phenyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanoate
CID 132596281
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045
ethyl N-[dimethoxy(phenyl)methyl]carbamate
CID 23117021

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate (CID 102159157) is ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-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-2-phenylpropan-2-yl)carbamate?
The InChIKey is METMMBGRAINDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-21-13(19)16-17(14(20)22-5-2)15(3,11-18)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-2-phenylpropan-2-yl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate has a molecular weight of 308.33 g/mol, XLogP of 2.22, 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-2-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 102159157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).