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

C25H25NO4 — CID 19172386

IUPACpropan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
SMILESCc1ccc(-c2ccc(OCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H25NO4/c1-17(2)30-25(28)21-8-12-22(13-9-21)26-24(27)16-29-23-14-10-20(11-15-23)19-6-4-18(3)5-7-19/h4-15,17H,16H2,1-3H3,(H,26,27)
InChIKeyQRCPWLAYCZGXBI-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds7

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

propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate (PubChem CID 19172386) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
PubChem CID19172386
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Namepropan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
SMILESCc1ccc(-c2ccc(OCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2)cc1
InChIInChI=1S/C25H25NO4/c1-17(2)30-25(28)21-8-12-22(13-9-21)26-24(27)16-29-23-14-10-20(11-15-23)19-6-4-18(3)5-7-19/h4-15,17H,16H2,1-3H3,(H,26,27)
InChIKeyQRCPWLAYCZGXBI-UHFFFAOYSA-N
XLogP5.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
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-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
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-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate (CID 19172386) is propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate is Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is QRCPWLAYCZGXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-17(2)30-25(28)21-8-12-22(13-9-21)26-24(27)16-29-23-14-10-20(11-15-23)19-6-4-18(3)5-7-19/h4-15,17H,16H2,1-3H3,(H,26,27).
What are the key properties of propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 403.48 g/mol, XLogP of 5.24, 7 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-(4-methylphenyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 19172386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).