4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide

C13H21N3O2 — CID 104551127

IUPAC4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
SMILESCC(CO)N(C)c1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C13H21N3O2/c1-9(8-17)16(4)12-7-10(14)5-6-11(12)13(18)15(2)3/h5-7,9,17H,8,14H2,1-4H3
InChIKeyKZGCDTHCZHDRNJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.79
Rot. Bonds4

About 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide

4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide (PubChem CID 104551127) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
PubChem CID104551127
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
SMILESCC(CO)N(C)c1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C13H21N3O2/c1-9(8-17)16(4)12-7-10(14)5-6-11(12)13(18)15(2)3/h5-7,9,17H,8,14H2,1-4H3
InChIKeyKZGCDTHCZHDRNJ-UHFFFAOYSA-N
XLogP0.79
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide
CID 112657121
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
4-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]benzoic acid
CID 112663498
2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol
CID 113425931
2-amino-3-[1-hydroxypropan-2-yl(methyl)amino]benzoic acid
CID 104553690
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
5-amino-N,N-dimethyl-2-(methylamino)benzamide
CID 71669096
2,4-diamino-N-methyl-N-pentan-3-ylbenzamide
CID 61093478

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide (CID 104551127) is 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide is CC(CO)N(C)c1cc(N)ccc1C(=O)N(C)C.
What is the InChIKey of 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide?
The InChIKey is KZGCDTHCZHDRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(8-17)16(4)12-7-10(14)5-6-11(12)13(18)15(2)3/h5-7,9,17H,8,14H2,1-4H3.
What are the key properties of 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide?
4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 104551127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).