2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate

C22H28N2O4 — CID 8961510

IUPAC2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C22H28N2O4/c1-4-24(5-2)14-15-27-22(26)18-10-12-19(13-11-18)23-21(25)16-28-20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,23,25)
InChIKeyZYRLQGNMXWEPNO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.51
Rot. Bonds10

About 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate

2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate (PubChem CID 8961510) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
PubChem CID8961510
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C22H28N2O4/c1-4-24(5-2)14-15-27-22(26)18-10-12-19(13-11-18)23-21(25)16-28-20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,23,25)
InChIKeyZYRLQGNMXWEPNO-UHFFFAOYSA-N
XLogP3.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)ethyl 4-[[3-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-3-oxopropanoyl]amino]benzoate
CID 26846
2-(diethylamino)ethyl 4-[3-(2-chlorophenoxy)propanoylamino]benzoate
CID 108789465
2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
CID 2176414
2-(diethylamino)ethyl 4-[[2-[4-[methyl-(4-methylbenzoyl)amino]phenoxy]acetyl]amino]benzoate
CID 4573768
ethyl 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 4635289
pentyl 4-[4-(2-methylphenoxy)butanoylamino]benzoate
CID 19173316
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
6-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-6-oxohexanoic acid
CID 178072250
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
N-[4-(2-methoxyethoxy)phenyl]-2-(2-methylphenoxy)acetamide
CID 17340393

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate (CID 8961510) is 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate is CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is ZYRLQGNMXWEPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-24(5-2)14-15-27-22(26)18-10-12-19(13-11-18)23-21(25)16-28-20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,23,25).
What are the key properties of 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate?
2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 384.48 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 8961510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).