ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate

C13H20N2O2 — CID 24689005

IUPACethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate
SMILESCCOC(=O)NC(CN)c1ccc(CC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-10-5-7-11(8-6-10)12(9-14)15-13(16)17-4-2/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyWYCYPXJVVGOIKU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.99
Rot. Bonds5

About ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate

ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate (PubChem CID 24689005) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate
PubChem CID24689005
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate
SMILESCCOC(=O)NC(CN)c1ccc(CC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-10-5-7-11(8-6-10)12(9-14)15-13(16)17-4-2/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyWYCYPXJVVGOIKU-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate (CID 24689005) is ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate is CCOC(=O)NC(CN)c1ccc(CC)cc1.
What is the InChIKey of ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate?
The InChIKey is WYCYPXJVVGOIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-5-7-11(8-6-10)12(9-14)15-13(16)17-4-2/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate?
ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-1-(4-ethylphenyl)ethyl]carbamate is sourced from PubChem (CID 24689005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).