4-tert-butyl-3-(methylaminomethylamino)benzamide

C13H21N3O — CID 19348699

IUPAC4-tert-butyl-3-(methylaminomethylamino)benzamide
SMILESCNCNc1cc(C(N)=O)ccc1C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-6-5-9(12(14)17)7-11(10)16-8-15-4/h5-7,15-16H,8H2,1-4H3,(H2,14,17)
InChIKeyQBDJOZMCTQFELO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.67
Rot. Bonds4

About 4-tert-butyl-3-(methylaminomethylamino)benzamide

4-tert-butyl-3-(methylaminomethylamino)benzamide (PubChem CID 19348699) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-tert-butyl-3-(methylaminomethylamino)benzamide.

Molecular Properties

Compound Name4-tert-butyl-3-(methylaminomethylamino)benzamide
PubChem CID19348699
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-tert-butyl-3-(methylaminomethylamino)benzamide
SMILESCNCNc1cc(C(N)=O)ccc1C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-6-5-9(12(14)17)7-11(10)16-8-15-4/h5-7,15-16H,8H2,1-4H3,(H2,14,17)
InChIKeyQBDJOZMCTQFELO-UHFFFAOYSA-N
XLogP1.67
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-3-(carbamothioylamino)benzoic acid
CID 169358028
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
4-iodo-3-(methylamino)benzamide
CID 131403520
4-amino-3-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115594
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
CID 79353564
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
3-tert-butyl-4-phenylbenzamide
CID 18779086
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide
CID 46511009
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
4-amino-3-(2-tert-butylanilino)benzoic acid
CID 82777051

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(methylaminomethylamino)benzamide?
The IUPAC name of 4-tert-butyl-3-(methylaminomethylamino)benzamide (CID 19348699) is 4-tert-butyl-3-(methylaminomethylamino)benzamide.
What is the SMILES notation for 4-tert-butyl-3-(methylaminomethylamino)benzamide?
The canonical SMILES for 4-tert-butyl-3-(methylaminomethylamino)benzamide is CNCNc1cc(C(N)=O)ccc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-(methylaminomethylamino)benzamide?
The InChIKey is QBDJOZMCTQFELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)10-6-5-9(12(14)17)7-11(10)16-8-15-4/h5-7,15-16H,8H2,1-4H3,(H2,14,17).
What are the key properties of 4-tert-butyl-3-(methylaminomethylamino)benzamide?
4-tert-butyl-3-(methylaminomethylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(methylaminomethylamino)benzamide is sourced from PubChem (CID 19348699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).