2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate

C15H23NO3 — CID 76852280

IUPAC2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
SMILESCCN(CC)CCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-11-18-15(17)12-19-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyICRVAQCAFDZJOM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.26
Rot. Bonds8

About 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate

2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate (PubChem CID 76852280) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
PubChem CID76852280
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
SMILESCCN(CC)CCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-11-18-15(17)12-19-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyICRVAQCAFDZJOM-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
CID 2176414
[4-[2-(diethylamino)ethoxy]phenyl] propanoate
CID 90991611
2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
CID 82532372
ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate
CID 8792057
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
2-(4-nitrophenoxy)ethyl 2-(4-methylphenoxy)acetate
CID 2414866
2-(diethylamino)ethyl 4-[[2-[4-[methyl-(4-methylbenzoyl)amino]phenoxy]acetyl]amino]benzoate
CID 4573768
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
propyl 2-(4-formylphenoxy)acetate
CID 17245126
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate (CID 76852280) is 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate is CCN(CC)CCOC(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate?
The InChIKey is ICRVAQCAFDZJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)10-11-18-15(17)12-19-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate?
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 76852280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).