ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate

C15H21BrN2O4 — CID 8792071

IUPACethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CCOc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O4/c1-3-18(11-14(19)17-15(20)21-4-2)8-9-22-13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,19,20)
InChIKeyLFYVAQWORPQQDG-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.42
Rot. Bonds8

About ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate

ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate (PubChem CID 8792071) has the molecular formula C15H21BrN2O4 and a molecular weight of 373.25 g/mol. Its IUPAC name is ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate
PubChem CID8792071
Molecular FormulaC15H21BrN2O4
Molecular Weight373.25 g/mol
Exact Mass372.07
IUPAC Nameethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CCOc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O4/c1-3-18(11-14(19)17-15(20)21-4-2)8-9-22-13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,19,20)
InChIKeyLFYVAQWORPQQDG-UHFFFAOYSA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43442338
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate (CID 8792071) is ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CCOc1cccc(Br)c1.
What is the InChIKey of ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate?
The InChIKey is LFYVAQWORPQQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4/c1-3-18(11-14(19)17-15(20)21-4-2)8-9-22-13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,19,20).
What are the key properties of ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate?
ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate has a molecular weight of 373.25 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8792071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).