methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate

C21H24N2O4 — CID 60536886

IUPACmethyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2OC2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-21(25)15-10-12-16(13-11-15)23-20(24)14-22-18-8-4-5-9-19(18)27-17-6-2-3-7-17/h4-5,8-13,17,22H,2-3,6-7,14H2,1H3,(H,23,24)
InChIKeyHHJVGEKGTAKJJB-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.85
Rot. Bonds7

About methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate

methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate (PubChem CID 60536886) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate
PubChem CID60536886
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2OC2CCCC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-21(25)15-10-12-16(13-11-15)23-20(24)14-22-18-8-4-5-9-19(18)27-17-6-2-3-7-17/h4-5,8-13,17,22H,2-3,6-7,14H2,1H3,(H,23,24)
InChIKeyHHJVGEKGTAKJJB-UHFFFAOYSA-N
XLogP3.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
CID 30644453
N-(3-chlorophenyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 52704421
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
methyl 4-[[2-[2-(diethylaminomethyl)anilino]acetyl]amino]benzoate
CID 60536782
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
CID 109010194
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
N-(2-cyclopentyloxyphenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55993011
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
N-(1-cyanocyclopentyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 47064203

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate (CID 60536886) is methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNc2ccccc2OC2CCCC2)cc1.
What is the InChIKey of methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate?
The InChIKey is HHJVGEKGTAKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-21(25)15-10-12-16(13-11-15)23-20(24)14-22-18-8-4-5-9-19(18)27-17-6-2-3-7-17/h4-5,8-13,17,22H,2-3,6-7,14H2,1H3,(H,23,24).
What are the key properties of methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate?
methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate is sourced from PubChem (CID 60536886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).