4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide

C13H19N3O3 — CID 106955557

IUPAC4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
SMILESCCCCNC(=O)COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-2-3-6-16-12(17)8-19-11-7-9(14)4-5-10(11)13(15)18/h4-5,7H,2-3,6,8,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyJPOLMOVRGKOSMJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds7

About 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide

4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide (PubChem CID 106955557) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
PubChem CID106955557
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
SMILESCCCCNC(=O)COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-2-3-6-16-12(17)8-19-11-7-9(14)4-5-10(11)13(15)18/h4-5,7H,2-3,6,8,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyJPOLMOVRGKOSMJ-UHFFFAOYSA-N
XLogP0.66
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 106954846
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(4-amino-2-bromophenoxy)-N-propylacetamide
CID 155894555
5-amino-2-butoxybenzamide
CID 61305277
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
4-amino-2-(ethoxymethoxy)benzamide
CID 106955437
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
CID 106955525

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide (CID 106955557) is 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide is CCCCNC(=O)COc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide?
The InChIKey is JPOLMOVRGKOSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-6-16-12(17)8-19-11-7-9(14)4-5-10(11)13(15)18/h4-5,7H,2-3,6,8,14H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide?
4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 106955557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).