4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide

C13H19N3O — CID 114615222

IUPAC4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide
SMILESC=C(C)CNc1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)8-15-12-7-10(14)5-6-11(12)13(17)16(3)4/h5-7,15H,1,8,14H2,2-4H3
InChIKeyXMNPKWIMSCYFNS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide

4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide (PubChem CID 114615222) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide
PubChem CID114615222
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide
SMILESC=C(C)CNc1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)8-15-12-7-10(14)5-6-11(12)13(17)16(3)4/h5-7,15H,1,8,14H2,2-4H3
InChIKeyXMNPKWIMSCYFNS-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
CID 65102756
4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106183600
5-amino-N,N-dimethyl-2-(methylamino)benzamide
CID 71669096
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507392
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
CID 54888315
4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 79866956
4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
CID 66233795
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
CID 104551127
2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114614956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide (CID 114615222) is 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide is C=C(C)CNc1cc(N)ccc1C(=O)N(C)C.
What is the InChIKey of 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide?
The InChIKey is XMNPKWIMSCYFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)8-15-12-7-10(14)5-6-11(12)13(17)16(3)4/h5-7,15H,1,8,14H2,2-4H3.
What are the key properties of 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide?
4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide is sourced from PubChem (CID 114615222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).