4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide

C12H18N4O2 — CID 63356519

IUPAC4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCNC(=O)C(C)Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H18N4O2/c1-3-15-12(18)7(2)16-10-6-8(11(14)17)4-5-9(10)13/h4-7,16H,3,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyYIHUPWNZHWGFOW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.30
Rot. Bonds5

About 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide

4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 63356519) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID63356519
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCNC(=O)C(C)Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H18N4O2/c1-3-15-12(18)7(2)16-10-6-8(11(14)17)4-5-9(10)13/h4-7,16H,3,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyYIHUPWNZHWGFOW-UHFFFAOYSA-N
XLogP0.30
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.30
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

4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
CID 63360672
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
ethyl 4-amino-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 82776751
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
4-nitro-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82991891
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide (CID 63356519) is 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide is CCNC(=O)C(C)Nc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is YIHUPWNZHWGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-15-12(18)7(2)16-10-6-8(11(14)17)4-5-9(10)13/h4-7,16H,3,13H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide?
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 63356519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).