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

C12H16N2O3 — CID 21161215

IUPAC[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate
SMILESCCNC(=O)C(C)(OC(N)=O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-3-14-10(15)12(2,17-11(13)16)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeySBQMRAYKKXQRQE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.13
Rot. Bonds4

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

[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate (PubChem CID 21161215) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate
PubChem CID21161215
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate
SMILESCCNC(=O)C(C)(OC(N)=O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-3-14-10(15)12(2,17-11(13)16)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeySBQMRAYKKXQRQE-UHFFFAOYSA-N
XLogP1.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
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5,5-Diphenyl-2,4-oxazolidinedione
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5-Ethyl-3-methyl-5-phenyl-1,3-oxazolidine-2,4-dione
CID 12488718
Acetic acid cyclohexylcarbamoyl-p-tolyl-methyl ester
CID 651616
N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 3452814
3-Methoxy-3-phenyl-2-piperidinone
CID 137300
X 100
CID 19153
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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate?
The IUPAC name of [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate (CID 21161215) is [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate?
The canonical SMILES for [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate is CCNC(=O)C(C)(OC(N)=O)c1ccccc1.
What is the InChIKey of [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate?
The InChIKey is SBQMRAYKKXQRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-14-10(15)12(2,17-11(13)16)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate?
[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-1-oxo-2-phenylpropan-2-yl] carbamate is sourced from PubChem (CID 21161215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).