[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

C15H20ClNO4 — CID 2604812

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C15H20ClNO4/c1-10-7-11(5-6-12(10)16)20-9-14(19)21-8-13(18)17-15(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,18)
InChIKeyVYNRJPUTALRVDW-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.49
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 2604812) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID2604812
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C15H20ClNO4/c1-10-7-11(5-6-12(10)16)20-9-14(19)21-8-13(18)17-15(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,18)
InChIKeyVYNRJPUTALRVDW-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404344
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273558
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273717
[2-(tert-butylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844105
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 2604812) is [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)NC(C)(C)C)ccc1Cl.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is VYNRJPUTALRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10-7-11(5-6-12(10)16)20-9-14(19)21-8-13(18)17-15(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,18).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 313.78 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 2604812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).