tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate

C16H24N2O3 — CID 102563275

IUPACtert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
SMILESCCNC(=O)C(C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-6-17-13(19)16(5,12-10-8-7-9-11-12)18-14(20)21-15(2,3)4/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyBVFPMAXNPZAMNV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate

tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate (PubChem CID 102563275) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
PubChem CID102563275
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
SMILESCCNC(=O)C(C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-6-17-13(19)16(5,12-10-8-7-9-11-12)18-14(20)21-15(2,3)4/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyBVFPMAXNPZAMNV-UHFFFAOYSA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
acetic acid;tert-butyl N-(1-amino-1-imino-2-phenylpropan-2-yl)carbamate
CID 155819932
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-phenylbutanoate
CID 21357710
tert-butyl N-[(2R)-1-oxo-4,4,4-triphenyl-2-sulfanylbutan-2-yl]carbamate
CID 87841982
tert-butyl N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109418313
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-2-phenylpropanoic acid
CID 142057141
tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate
CID 69174431
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
CID 122225403

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate (CID 102563275) is tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate is CCNC(=O)C(C)(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate?
The InChIKey is BVFPMAXNPZAMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-17-13(19)16(5,12-10-8-7-9-11-12)18-14(20)21-15(2,3)4/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate?
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 102563275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).