N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide

C17H25BrN2O2 — CID 108966874

IUPACN-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O2/c1-5-11-20(12-6-2)16(22)17(3,4)15(21)19-14-9-7-13(18)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyRTMFJDOVJAQNQB-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.06
Rot. Bonds7

About N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide

N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide (PubChem CID 108966874) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
PubChem CID108966874
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC NameN-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O2/c1-5-11-20(12-6-2)16(22)17(3,4)15(21)19-14-9-7-13(18)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyRTMFJDOVJAQNQB-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965727
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966915
N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965752
N'-(4-bromophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967157
2-(4-bromoanilino)-N,N-dipropylacetamide
CID 39453454
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108966504
3-(4-bromophenyl)-1-tert-butyl-1-ethylurea
CID 108869301
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965699
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
The IUPAC name of N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide (CID 108966874) is N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
The canonical SMILES for N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide is CCCN(CCC)C(=O)C(C)(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
The InChIKey is RTMFJDOVJAQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-5-11-20(12-6-2)16(22)17(3,4)15(21)19-14-9-7-13(18)8-10-14/h7-10H,5-6,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide?
N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide has a molecular weight of 369.30 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide is sourced from PubChem (CID 108966874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).