4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide

C13H21N3O2 — CID 79680114

IUPAC4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
SMILESCN(C)C(C)(C)COc1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)8-18-11-7-9(12(15)17)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H2,15,17)
InChIKeyOXMUBQVAPWMISF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.09
Rot. Bonds5

About 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide

4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide (PubChem CID 79680114) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide.

Molecular Properties

Compound Name4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
PubChem CID79680114
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
SMILESCN(C)C(C)(C)COc1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-13(2,16(3)4)8-18-11-7-9(12(15)17)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H2,15,17)
InChIKeyOXMUBQVAPWMISF-UHFFFAOYSA-N
XLogP1.09
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.09
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-chloro-2-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 115469310
4-amino-2-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79679565
4-amino-3-propoxybenzamide
CID 63356295
4-amino-3-(2-carboxy-2-methylpropoxy)benzoic acid
CID 79621403
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline
CID 83007835
4-amino-3-trimethylsilyloxybenzamide
CID 167720584
4-amino-3-(2-phenoxyethoxy)benzamide
CID 63356795
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
4-amino-3-(carboxymethoxy)benzoic acid
CID 11310358

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide?
The IUPAC name of 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide (CID 79680114) is 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide.
What is the SMILES notation for 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide?
The canonical SMILES for 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide is CN(C)C(C)(C)COc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide?
The InChIKey is OXMUBQVAPWMISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,16(3)4)8-18-11-7-9(12(15)17)5-6-10(11)14/h5-7H,8,14H2,1-4H3,(H2,15,17).
What are the key properties of 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide?
4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide is sourced from PubChem (CID 79680114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).