4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide

C13H22N4O — CID 82946067

IUPAC4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NC(C)CN(C)C
InChIInChI=1S/C13H22N4O/c1-9(8-17(3)4)16-12-7-10(14)5-6-11(12)13(18)15-2/h5-7,9,16H,8,14H2,1-4H3,(H,15,18)
InChIKeyFIWAIRIPGARDBP-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.99
Rot. Bonds5

About 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide

4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide (PubChem CID 82946067) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
PubChem CID82946067
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NC(C)CN(C)C
InChIInChI=1S/C13H22N4O/c1-9(8-17(3)4)16-12-7-10(14)5-6-11(12)13(18)15-2/h5-7,9,16H,8,14H2,1-4H3,(H,15,18)
InChIKeyFIWAIRIPGARDBP-UHFFFAOYSA-N
XLogP0.99
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.99
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-2-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630405
4-amino-N-methyl-2-(4-methylsulfanylbutan-2-ylamino)benzamide
CID 113476993
4-amino-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-methylbenzamide
CID 79248207
4-amino-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzamide
CID 106155092
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
CID 105413811
2-amino-3-[1-(dimethylamino)propan-2-ylamino]benzoic acid
CID 82950414
4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide
CID 107748130
5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100655116
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106414056

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide (CID 82946067) is 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1NC(C)CN(C)C.
What is the InChIKey of 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide?
The InChIKey is FIWAIRIPGARDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(8-17(3)4)16-12-7-10(14)5-6-11(12)13(18)15-2/h5-7,9,16H,8,14H2,1-4H3,(H,15,18).
What are the key properties of 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide?
4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide has a molecular weight of 250.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide is sourced from PubChem (CID 82946067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).