3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide

C14H22N4O2 — CID 82988580

IUPAC3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
SMILESCCCNC(=O)C(C)Nc1ccc(C(=O)NC)cc1N
InChIInChI=1S/C14H22N4O2/c1-4-7-17-13(19)9(2)18-12-6-5-10(8-11(12)15)14(20)16-3/h5-6,8-9,18H,4,7,15H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyZAHFHQBJYKWIKB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.95
Rot. Bonds6

About 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide

3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide (PubChem CID 82988580) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
PubChem CID82988580
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
SMILESCCCNC(=O)C(C)Nc1ccc(C(=O)NC)cc1N
InChIInChI=1S/C14H22N4O2/c1-4-7-17-13(19)9(2)18-12-6-5-10(8-11(12)15)14(20)16-3/h5-6,8-9,18H,4,7,15H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyZAHFHQBJYKWIKB-UHFFFAOYSA-N
XLogP0.95
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide 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

3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
ethyl 3-amino-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoate
CID 61466557
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175
ethyl 4-amino-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 82776751
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969779
5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 61478582
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide (CID 82988580) is 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide is CCCNC(=O)C(C)Nc1ccc(C(=O)NC)cc1N.
What is the InChIKey of 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
The InChIKey is ZAHFHQBJYKWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-7-17-13(19)9(2)18-12-6-5-10(8-11(12)15)14(20)16-3/h5-6,8-9,18H,4,7,15H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide?
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide has a molecular weight of 278.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide is sourced from PubChem (CID 82988580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).