4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide

C13H20N4O2 — CID 55190894

IUPAC4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCCC(=O)N(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-15-13(19)9-4-5-10(14)11(8-9)16-7-6-12(18)17(2)3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,19)
InChIKeyPELDWWVCIGYQCN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.52
Rot. Bonds5

About 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide

4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide (PubChem CID 55190894) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
PubChem CID55190894
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCCC(=O)N(C)C)c1
InChIInChI=1S/C13H20N4O2/c1-15-13(19)9-4-5-10(14)11(8-9)16-7-6-12(18)17(2)3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,19)
InChIKeyPELDWWVCIGYQCN-UHFFFAOYSA-N
XLogP0.52
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.52
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

4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
CID 106426373
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
CID 113471567
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106393963
4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106103991
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
CID 63357336

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide (CID 55190894) is 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NCCC(=O)N(C)C)c1.
What is the InChIKey of 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide?
The InChIKey is PELDWWVCIGYQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-13(19)9-4-5-10(14)11(8-9)16-7-6-12(18)17(2)3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide?
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55190894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).