propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate

C19H21NO4 — CID 718367

IUPACpropan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)24-19(22)15-6-8-16(9-7-15)20-18(21)12-23-17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyWGHLUAWAOYYLEQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.58
Rot. Bonds6

About propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate

propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate (PubChem CID 718367) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
PubChem CID718367
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namepropan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)24-19(22)15-6-8-16(9-7-15)20-18(21)12-23-17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyWGHLUAWAOYYLEQ-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720636
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate (CID 718367) is propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate is Cc1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is WGHLUAWAOYYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)24-19(22)15-6-8-16(9-7-15)20-18(21)12-23-17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,20,21).
What are the key properties of propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 718367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).