3-amino-4-tert-butyl-N,N-dimethylbenzamide

C13H20N2O — CID 19348783

IUPAC3-amino-4-tert-butyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)10-7-6-9(8-11(10)14)12(16)15(4)5/h6-8H,14H2,1-5H3
InChIKeyQJTAWIGUKZFIHF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.27
Rot. Bonds1

About 3-amino-4-tert-butyl-N,N-dimethylbenzamide

3-amino-4-tert-butyl-N,N-dimethylbenzamide (PubChem CID 19348783) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-4-tert-butyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-tert-butyl-N,N-dimethylbenzamide
PubChem CID19348783
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-4-tert-butyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)10-7-6-9(8-11(10)14)12(16)15(4)5/h6-8H,14H2,1-5H3
InChIKeyQJTAWIGUKZFIHF-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N,N,3-trimethylbenzamide
CID 118473510
3-amino-4-tert-butylbenzoic acid;hydrochloride
CID 119099217
2-(3-amino-4-tert-butylbenzoyl)oxyethyl 3-amino-4-tert-butylbenzoate
CID 20514786
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
CID 63360505
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 82989662
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-tert-butyl-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-tert-butyl-N,N-dimethylbenzamide (CID 19348783) is 3-amino-4-tert-butyl-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-tert-butyl-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-tert-butyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C(C)(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-tert-butyl-N,N-dimethylbenzamide?
The InChIKey is QJTAWIGUKZFIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)10-7-6-9(8-11(10)14)12(16)15(4)5/h6-8H,14H2,1-5H3.
What are the key properties of 3-amino-4-tert-butyl-N,N-dimethylbenzamide?
3-amino-4-tert-butyl-N,N-dimethylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-tert-butyl-N,N-dimethylbenzamide is sourced from PubChem (CID 19348783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).