2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide

C12H15N3O5 — CID 106164586

IUPAC2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C12H15N3O5/c13-11(18)7-3-1-2-4-9(7)20-6-10(17)15-5-8(16)12(14)19/h1-4,8,16H,5-6H2,(H2,13,18)(H2,14,19)(H,15,17)
InChIKeyWJGZXBAWAAYYCQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.87
Rot. Bonds7

About 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide

2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide (PubChem CID 106164586) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
PubChem CID106164586
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C12H15N3O5/c13-11(18)7-3-1-2-4-9(7)20-6-10(17)15-5-8(16)12(14)19/h1-4,8,16H,5-6H2,(H2,13,18)(H2,14,19)(H,15,17)
InChIKeyWJGZXBAWAAYYCQ-UHFFFAOYSA-N
XLogP-1.87
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 107155288
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 106289602
2-[2-(cyanoamino)-2-oxoethoxy]benzamide
CID 79194967
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
CID 8529413
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide (CID 106164586) is 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)NCC(O)C(N)=O.
What is the InChIKey of 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide?
The InChIKey is WJGZXBAWAAYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c13-11(18)7-3-1-2-4-9(7)20-6-10(17)15-5-8(16)12(14)19/h1-4,8,16H,5-6H2,(H2,13,18)(H2,14,19)(H,15,17).
What are the key properties of 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide?
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide has a molecular weight of 281.27 g/mol, XLogP of -1.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 106164586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).