[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C15H18N2O4 — CID 9140972

IUPAC[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCCCCNC(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O4/c1-2-3-8-17-14(18)10-21-15(19)11-20-13-6-4-12(9-16)5-7-13/h4-7H,2-3,8,10-11H2,1H3,(H,17,18)
InChIKeyCLYMWFJODFTALA-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.40
Rot. Bonds8

About [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 9140972) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID9140972
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCCCCNC(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O4/c1-2-3-8-17-14(18)10-21-15(19)11-20-13-6-4-12(9-16)5-7-13/h4-7H,2-3,8,10-11H2,1H3,(H,17,18)
InChIKeyCLYMWFJODFTALA-UHFFFAOYSA-N
XLogP1.40
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]butanoate
CID 9019829
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923798
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-(4-cyanophenoxy)-N-(2-sulfamoylethyl)acetamide
CID 43552443
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 9140972) is [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is CCCCNC(=O)COC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is CLYMWFJODFTALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-3-8-17-14(18)10-21-15(19)11-20-13-6-4-12(9-16)5-7-13/h4-7H,2-3,8,10-11H2,1H3,(H,17,18).
What are the key properties of [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 290.32 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 9140972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).