3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide

C16H28N4O — CID 61091598

IUPAC3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-16(2,11-19(3)4)10-18-15(21)12-7-8-14(20(5)6)13(17)9-12/h7-9H,10-11,17H2,1-6H3,(H,18,21)
InChIKeyFKZPWAZEDLZRAC-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.65
Rot. Bonds6

About 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide

3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide (PubChem CID 61091598) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
PubChem CID61091598
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-16(2,11-19(3)4)10-18-15(21)12-7-8-14(20(5)6)13(17)9-12/h7-9H,10-11,17H2,1-6H3,(H,18,21)
InChIKeyFKZPWAZEDLZRAC-UHFFFAOYSA-N
XLogP1.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.65
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

3-amino-4-(dimethylamino)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 106242390
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 62151627
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide
CID 82989320
3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106179724
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide (CID 61091598) is 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide is CN(C)CC(C)(C)CNC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
The InChIKey is FKZPWAZEDLZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,11-19(3)4)10-18-15(21)12-7-8-14(20(5)6)13(17)9-12/h7-9H,10-11,17H2,1-6H3,(H,18,21).
What are the key properties of 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide has a molecular weight of 292.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 61091598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).