[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

C16H22N2O5 — CID 8581872

IUPAC[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCCNC(=O)CNC(=O)COC(=O)COc1cccc(C)c1C
InChIInChI=1S/C16H22N2O5/c1-4-17-14(19)8-18-15(20)9-23-16(21)10-22-13-7-5-6-11(2)12(13)3/h5-7H,4,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXMKUZGWUXIPRTQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.48
Rot. Bonds8

About [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (PubChem CID 8581872) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
PubChem CID8581872
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCCNC(=O)CNC(=O)COC(=O)COc1cccc(C)c1C
InChIInChI=1S/C16H22N2O5/c1-4-17-14(19)8-18-15(20)9-23-16(21)10-22-13-7-5-6-11(2)12(13)3/h5-7H,4,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXMKUZGWUXIPRTQ-UHFFFAOYSA-N
XLogP0.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197712
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581903
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405476
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981876
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982131
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982140
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9336248

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (CID 8581872) is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The canonical SMILES for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate is CCNC(=O)CNC(=O)COC(=O)COc1cccc(C)c1C.
What is the InChIKey of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The InChIKey is XMKUZGWUXIPRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-17-14(19)8-18-15(20)9-23-16(21)10-22-13-7-5-6-11(2)12(13)3/h5-7H,4,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate has a molecular weight of 322.36 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate is sourced from PubChem (CID 8581872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).