[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate

C25H22N2O5 — CID 24526690

IUPAC[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
SMILESNC(=O)CCN(C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H22N2O5/c26-22(28)15-16-27(21-9-5-2-6-10-21)23(29)17-32-25(31)20-13-11-19(12-14-20)24(30)18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,26,28)
InChIKeyWPGFPLQKOVEXTA-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.98
Rot. Bonds9

About [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate

[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 24526690) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID24526690
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
SMILESNC(=O)CCN(C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H22N2O5/c26-22(28)15-16-27(21-9-5-2-6-10-21)23(29)17-32-25(31)20-13-11-19(12-14-20)24(30)18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,26,28)
InChIKeyWPGFPLQKOVEXTA-UHFFFAOYSA-N
XLogP2.98
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 55448411
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 27310320
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 27199501
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 27309884
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 27592198
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 27310596
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 24526169
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 37325499
3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
CID 51263825
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 26968162

Frequently Asked Questions

What is the IUPAC name of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate (CID 24526690) is [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate is NC(=O)CCN(C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is WPGFPLQKOVEXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c26-22(28)15-16-27(21-9-5-2-6-10-21)23(29)17-32-25(31)20-13-11-19(12-14-20)24(30)18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,26,28).
What are the key properties of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate?
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 430.46 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 24526690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).