ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate

C14H19BrN2O3 — CID 108900641

IUPACethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-2-20-13(18)8-10-17-14(19)16-9-7-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3,(H2,16,17,19)
InChIKeyRWSWOEAIYHFMCI-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.24
Rot. Bonds7

About ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate

ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate (PubChem CID 108900641) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
PubChem CID108900641
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Nameethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-2-20-13(18)8-10-17-14(19)16-9-7-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3,(H2,16,17,19)
InChIKeyRWSWOEAIYHFMCI-UHFFFAOYSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(2-bromophenyl)methylcarbamoylamino]propanoate
CID 108898028
ethyl 5-(2-bromophenyl)-3-oxopentanoate
CID 66856925
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
methyl 4-[2-(2-bromophenyl)ethylamino]-4-oxobutanoate
CID 115174690
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
CID 108892013
1-[2-(2-bromophenyl)ethyl]-3-[(E)-but-1-enyl]urea
CID 108910838
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate?
The IUPAC name of ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate (CID 108900641) is ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate is CCOC(=O)CCNC(=O)NCCc1ccccc1Br.
What is the InChIKey of ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate?
The InChIKey is RWSWOEAIYHFMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-2-20-13(18)8-10-17-14(19)16-9-7-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3,(H2,16,17,19).
What are the key properties of ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate?
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate has a molecular weight of 343.22 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 108900641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).