propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate

C25H26N2O4 — CID 54827051

IUPACpropyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-15-30-25(29)20-11-13-21(14-12-20)27-24(28)17-26-22-9-6-10-23(16-22)31-18-19-7-4-3-5-8-19/h3-14,16,26H,2,15,17-18H2,1H3,(H,27,28)
InChIKeyDDXSDUHKANSUOQ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.88
Rot. Bonds10

About propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate

propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate (PubChem CID 54827051) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate
PubChem CID54827051
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Namepropyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-15-30-25(29)20-11-13-21(14-12-20)27-24(28)17-26-22-9-6-10-23(16-22)31-18-19-7-4-3-5-8-19/h3-14,16,26H,2,15,17-18H2,1H3,(H,27,28)
InChIKeyDDXSDUHKANSUOQ-UHFFFAOYSA-N
XLogP4.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
CID 54812726
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
propyl 4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54812800
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
propyl 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzoate
CID 54845872
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate (CID 54827051) is propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)CNc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate?
The InChIKey is DDXSDUHKANSUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-15-30-25(29)20-11-13-21(14-12-20)27-24(28)17-26-22-9-6-10-23(16-22)31-18-19-7-4-3-5-8-19/h3-14,16,26H,2,15,17-18H2,1H3,(H,27,28).
What are the key properties of propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate?
propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate has a molecular weight of 418.49 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzoate is sourced from PubChem (CID 54827051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).