N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide

C16H24BrN3O2 — CID 108960603

IUPACN-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O2/c1-16(2,14(21)18-10-5-11-20(3)4)15(22)19-13-8-6-12(17)7-9-13/h6-9H,5,10-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyARIYKIOWIZFSIA-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.48
Rot. Bonds7

About N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide

N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide (PubChem CID 108960603) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
PubChem CID108960603
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC NameN-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O2/c1-16(2,14(21)18-10-5-11-20(3)4)15(22)19-13-8-6-12(17)7-9-13/h6-9H,5,10-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyARIYKIOWIZFSIA-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
ethyl 4-[[3-[3-(dimethylamino)propylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108960648
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108960617
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 58419108
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960255
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966874
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965727
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide (CID 108960603) is N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide is CN(C)CCCNC(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
The InChIKey is ARIYKIOWIZFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-16(2,14(21)18-10-5-11-20(3)4)15(22)19-13-8-6-12(17)7-9-13/h6-9H,5,10-11H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide?
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide has a molecular weight of 370.29 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108960603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).