ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate

C13H18N2O3 — CID 47187222

IUPACethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)14-9-12(16)15-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZXISDIRBGDXOCV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds5

About ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate

ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate (PubChem CID 47187222) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
PubChem CID47187222
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)14-9-12(16)15-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZXISDIRBGDXOCV-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
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2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
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ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
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2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
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ethyl 2-amino-3-oxo-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 104877608
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CID 85140182

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate (CID 47187222) is ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate is CCOC(=O)NCC(=O)NC(C)c1ccccc1.
What is the InChIKey of ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate?
The InChIKey is ZXISDIRBGDXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-13(17)14-9-12(16)15-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate?
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate is sourced from PubChem (CID 47187222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).