[1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate

C12H16N2O3 — CID 27689

IUPAC[1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate
SMILESCCNC(=O)C(C)OC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyAMRQXHFXNZFDCH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.76
Rot. Bonds4

About [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate

[1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate (PubChem CID 27689) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate
PubChem CID27689
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate
SMILESCCNC(=O)C(C)OC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyAMRQXHFXNZFDCH-UHFFFAOYSA-N
XLogP1.76
TPSA67.43 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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate?
The IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate (CID 27689) is [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate.
What is the SMILES notation for [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate?
The canonical SMILES for [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate is CCNC(=O)C(C)OC(=O)Nc1ccccc1.
What is the InChIKey of [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate?
The InChIKey is AMRQXHFXNZFDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate?
[1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate is sourced from PubChem (CID 27689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).