4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide

C13H19N3O3 — CID 106955525

IUPAC4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
SMILESCC(C)NC(=O)CCOc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-8(2)16-12(17)5-6-19-11-7-9(14)3-4-10(11)13(15)18/h3-4,7-8H,5-6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKRUSFSHYFYUIDY-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds6

About 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide

4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide (PubChem CID 106955525) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide.

Molecular Properties

Compound Name4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
PubChem CID106955525
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
SMILESCC(C)NC(=O)CCOc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-8(2)16-12(17)5-6-19-11-7-9(14)3-4-10(11)13(15)18/h3-4,7-8H,5-6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKRUSFSHYFYUIDY-UHFFFAOYSA-N
XLogP0.66
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
CID 116540898
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-2-methoxybenzoate
CID 104784112
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522
3-(4-amino-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 62623218
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
4-amino-2-(5-amino-5-oxopentoxy)benzamide
CID 114281709
4-methyl-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzoic acid
CID 62623223
4-amino-2-(5-hydroxypentoxy)benzamide
CID 106955432
4-amino-2-propan-2-yloxybenzamide
CID 53495725
4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
CID 106955557
4-amino-2-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79679565
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide?
The IUPAC name of 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide (CID 106955525) is 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide.
What is the SMILES notation for 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide?
The canonical SMILES for 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide is CC(C)NC(=O)CCOc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide?
The InChIKey is KRUSFSHYFYUIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16-12(17)5-6-19-11-7-9(14)3-4-10(11)13(15)18/h3-4,7-8H,5-6,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide?
4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide is sourced from PubChem (CID 106955525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).