2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide

C13H20BrN3O — CID 54891318

IUPAC2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrN3O/c1-13(12(15)18,16-8-9-17(2)3)10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3,(H2,15,18)
InChIKeyJUTQFDCCYYTJKS-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.30
Rot. Bonds6

About 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide

2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 54891318) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
PubChem CID54891318
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrN3O/c1-13(12(15)18,16-8-9-17(2)3)10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3,(H2,15,18)
InChIKeyJUTQFDCCYYTJKS-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-(4-bromophenyl)-2-(propylamino)propanamide
CID 60795515
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 104653361
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
2-[2-(diethylamino)ethylamino]-2-(4-ethylphenyl)propanamide
CID 60995324
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164
2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891609
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (CID 54891318) is 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide is CN(C)CCNC(C)(C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is JUTQFDCCYYTJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-13(12(15)18,16-8-9-17(2)3)10-4-6-11(14)7-5-10/h4-7,16H,8-9H2,1-3H3,(H2,15,18).
What are the key properties of 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 314.23 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 54891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).