2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate

C21H25NO4 — CID 19177259

IUPAC2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate
SMILESCCc1cccc(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1
InChIInChI=1S/C21H25NO4/c1-4-16-6-5-7-19(12-16)25-14-20(23)22-18-10-8-17(9-11-18)21(24)26-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyYHAZXIVGVXADEY-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.08
Rot. Bonds8

About 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate

2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate (PubChem CID 19177259) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate
PubChem CID19177259
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate
SMILESCCc1cccc(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1
InChIInChI=1S/C21H25NO4/c1-4-16-6-5-7-19(12-16)25-14-20(23)22-18-10-8-17(9-11-18)21(24)26-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyYHAZXIVGVXADEY-UHFFFAOYSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
4-[[2-(3-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43912204
N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
CID 28867409
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
2-methylpropyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]benzoate
CID 19201826
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
[2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 9067753
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
2-methylpropyl 4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406833
2-(3-ethylphenoxy)-N-[4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 51549053
[2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl] 3-chlorobenzoate
CID 9067673

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate (CID 19177259) is 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate is CCc1cccc(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1.
What is the InChIKey of 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate?
The InChIKey is YHAZXIVGVXADEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16-6-5-7-19(12-16)25-14-20(23)22-18-10-8-17(9-11-18)21(24)26-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate?
2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19177259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).