[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate

C12H14N2O5 — CID 7853444

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H14N2O5/c1-8-3-2-4-9(5-8)18-7-11(16)19-6-10(15)14-12(13)17/h2-5H,6-7H2,1H3,(H3,13,14,15,17)
InChIKeyXIJUGQDPBZQOPX-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.11
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate

[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate (PubChem CID 7853444) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
PubChem CID7853444
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H14N2O5/c1-8-3-2-4-9(5-8)18-7-11(16)19-6-10(15)14-12(13)17/h2-5H,6-7H2,1H3,(H3,13,14,15,17)
InChIKeyXIJUGQDPBZQOPX-UHFFFAOYSA-N
XLogP0.11
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 8910633
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853538
(3,3-dimethyl-2-oxobutyl) 2-(3-methylphenoxy)acetate
CID 2358385
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910451
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594788
propyl 2-(3-methylphenoxy)acetate
CID 78907736
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594596

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate (CID 7853444) is [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)NC(N)=O)c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is XIJUGQDPBZQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-8-3-2-4-9(5-8)18-7-11(16)19-6-10(15)14-12(13)17/h2-5H,6-7H2,1H3,(H3,13,14,15,17).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 266.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 7853444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).