5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide

C13H20N4O2 — CID 61478582

IUPAC5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
SMILESCCCNC(=O)C(C)Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-3-6-16-13(19)8(2)17-11-5-4-9(14)7-10(11)12(15)18/h4-5,7-8,17H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeySRFWZQBLCFGEFM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds6

About 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide

5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide (PubChem CID 61478582) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
PubChem CID61478582
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
SMILESCCCNC(=O)C(C)Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-3-6-16-13(19)8(2)17-11-5-4-9(14)7-10(11)12(15)18/h4-5,7-8,17H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeySRFWZQBLCFGEFM-UHFFFAOYSA-N
XLogP0.69
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 61479176
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
2-(4-carbamothioyl-2-fluoroanilino)-N-propylpropanamide
CID 61478178
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
ethyl 5-amino-2-[(1-amino-1-oxopropan-2-yl)amino]benzoate
CID 61306773
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
4-nitro-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82991891
2-(2-carbamothioyl-4-methylanilino)-N-ethylpropanamide
CID 107928693

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
The IUPAC name of 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide (CID 61478582) is 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide.
What is the SMILES notation for 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
The canonical SMILES for 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide is CCCNC(=O)C(C)Nc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
The InChIKey is SRFWZQBLCFGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-16-13(19)8(2)17-11-5-4-9(14)7-10(11)12(15)18/h4-5,7-8,17H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide is sourced from PubChem (CID 61478582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).