3-[[2-(2-aminoethoxy)acetyl]amino]benzamide

C11H15N3O3 — CID 79479318

IUPAC3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
SMILESNCCOCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N3O3/c12-4-5-17-7-10(15)14-9-3-1-2-8(6-9)11(13)16/h1-3,6H,4-5,7,12H2,(H2,13,16)(H,14,15)
InChIKeyVHWIAUUDEUMFFO-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.30
Rot. Bonds6

About 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide

3-[[2-(2-aminoethoxy)acetyl]amino]benzamide (PubChem CID 79479318) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
PubChem CID79479318
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
SMILESNCCOCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N3O3/c12-4-5-17-7-10(15)14-9-3-1-2-8(6-9)11(13)16/h1-3,6H,4-5,7,12H2,(H2,13,16)(H,14,15)
InChIKeyVHWIAUUDEUMFFO-UHFFFAOYSA-N
XLogP-0.30
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
2-(2-aminoethoxy)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 79473135
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 79473484
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756
2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
CID 62343844
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
CID 79478578
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide (CID 79479318) is 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide is NCCOCC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide?
The InChIKey is VHWIAUUDEUMFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-4-5-17-7-10(15)14-9-3-1-2-8(6-9)11(13)16/h1-3,6H,4-5,7,12H2,(H2,13,16)(H,14,15).
What are the key properties of 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide?
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide has a molecular weight of 237.26 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-aminoethoxy)acetyl]amino]benzamide is sourced from PubChem (CID 79479318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).