N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide

C12H14N2O4 — CID 61251264

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-8(15)5-12(17)14-9-3-2-4-10(6-9)18-7-11(13)16/h2-4,6H,5,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeySEWRBFRHYQCPCW-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.47
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide (PubChem CID 61251264) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
PubChem CID61251264
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-8(15)5-12(17)14-9-3-2-4-10(6-9)18-7-11(13)16/h2-4,6H,5,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeySEWRBFRHYQCPCW-UHFFFAOYSA-N
XLogP0.47
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyphenyl)acetamide
CID 18155390
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
[3-(3-oxobutanoylamino)phenyl] hydrogen sulfite
CID 57119666
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 60851602
2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide
CID 24649946
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 24649985

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide (CID 61251264) is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide is CC(=O)CC(=O)Nc1cccc(OCC(N)=O)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide?
The InChIKey is SEWRBFRHYQCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(15)5-12(17)14-9-3-2-4-10(6-9)18-7-11(13)16/h2-4,6H,5,7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide has a molecular weight of 250.25 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide is sourced from PubChem (CID 61251264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).