[2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate

C14H17BrN2O5 — CID 7754745

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate
SMILESCCNC(=O)NC(=O)COC(=O)[C@@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O5/c1-3-16-14(20)17-12(18)8-21-13(19)9(2)22-11-6-4-10(15)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyMEWADUBJFJULGK-SECBINFHSA-N
MW373.20 g/mol
LogP1.61
Rot. Bonds6

About [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate

[2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate (PubChem CID 7754745) has the molecular formula C14H17BrN2O5 and a molecular weight of 373.20 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate
PubChem CID7754745
Molecular FormulaC14H17BrN2O5
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate
SMILESCCNC(=O)NC(=O)COC(=O)[C@@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O5/c1-3-16-14(20)17-12(18)8-21-13(19)9(2)22-11-6-4-10(15)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyMEWADUBJFJULGK-SECBINFHSA-N
XLogP1.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate with MolForge

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7742947
[2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880315
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 51415222
methyl 2-[[2-[2-(4-bromophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
CID 55400206
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-phenoxypropanoate
CID 8790635
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983854
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754721
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348364
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7743048
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149238
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(4-acetylphenoxy)propanoate
CID 2471598
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-acetylphenoxy)propanoate
CID 4882816

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate (CID 7754745) is [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate is CCNC(=O)NC(=O)COC(=O)[C@@H](C)Oc1ccc(Br)cc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate?
The InChIKey is MEWADUBJFJULGK-SECBINFHSA-N. The full InChI is InChI=1S/C14H17BrN2O5/c1-3-16-14(20)17-12(18)8-21-13(19)9(2)22-11-6-4-10(15)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)/t9-/m1/s1.
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate has a molecular weight of 373.20 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate is sourced from PubChem (CID 7754745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).