2-(1-amino-1-oxobutan-2-yl)oxybenzamide

C11H14N2O3 — CID 62899921

IUPAC2-(1-amino-1-oxobutan-2-yl)oxybenzamide
SMILESCCC(Oc1ccccc1C(N)=O)C(N)=O
InChIInChI=1S/C11H14N2O3/c1-2-8(11(13)15)16-9-6-4-3-5-7(9)10(12)14/h3-6,8H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyDFWJWGAKCNNBOS-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.43
Rot. Bonds5

About 2-(1-amino-1-oxobutan-2-yl)oxybenzamide

2-(1-amino-1-oxobutan-2-yl)oxybenzamide (PubChem CID 62899921) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(1-amino-1-oxobutan-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-(1-amino-1-oxobutan-2-yl)oxybenzamide
PubChem CID62899921
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(1-amino-1-oxobutan-2-yl)oxybenzamide
SMILESCCC(Oc1ccccc1C(N)=O)C(N)=O
InChIInChI=1S/C11H14N2O3/c1-2-8(11(13)15)16-9-6-4-3-5-7(9)10(12)14/h3-6,8H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyDFWJWGAKCNNBOS-UHFFFAOYSA-N
XLogP0.43
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-formylphenoxy)butanamide
CID 62900622
2-(1-amino-1-oxobutan-2-yl)oxy-5-fluorobenzoic acid
CID 115297987
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608
2-(1-fluoroethoxy)benzamide
CID 57150200
2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-[2-[1-(ethylamino)propyl]phenoxy]butanamide
CID 62900584
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
2-(2-carbamoylphenoxy)-3-methylbutanoic acid
CID 18073009
bis(2-carbamoylphenyl) propanedioate;but-2-ene
CID 162215150
2-quinolin-8-yloxybutanamide
CID 62901439
2-(1-formylnaphthalen-2-yl)oxybutanamide
CID 62901202

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-1-oxobutan-2-yl)oxybenzamide?
The IUPAC name of 2-(1-amino-1-oxobutan-2-yl)oxybenzamide (CID 62899921) is 2-(1-amino-1-oxobutan-2-yl)oxybenzamide.
What is the SMILES notation for 2-(1-amino-1-oxobutan-2-yl)oxybenzamide?
The canonical SMILES for 2-(1-amino-1-oxobutan-2-yl)oxybenzamide is CCC(Oc1ccccc1C(N)=O)C(N)=O.
What is the InChIKey of 2-(1-amino-1-oxobutan-2-yl)oxybenzamide?
The InChIKey is DFWJWGAKCNNBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-8(11(13)15)16-9-6-4-3-5-7(9)10(12)14/h3-6,8H,2H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 2-(1-amino-1-oxobutan-2-yl)oxybenzamide?
2-(1-amino-1-oxobutan-2-yl)oxybenzamide has a molecular weight of 222.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-1-oxobutan-2-yl)oxybenzamide is sourced from PubChem (CID 62899921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).